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/JEV4-5cb7561d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV4-5cb7561d/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/JEV4-5cb7561d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV4-5cb7561d/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/JEV4-5cb7561d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV4-5cb7561d/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/JEV4-5cb7561d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV4-5cb7561d/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/JEV4-5cb7561d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV4-5cb7561d/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/JEV4-5cb7561d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV4-5cb7561d/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/JEV4-5cb7561d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV4-5cb7561d/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/JEV4-5cb7561d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV4-5cb7561d/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/JEV4-5cb7561d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV4-5cb7561d/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/JEV4-5cb7561d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV4-5cb7561d/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: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -155.043685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.043685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.043685 (E_RNA)
where:
Base-Base interactions energy: -91.836
where: short stacking energy: -43.683
Base-Backbone interact. energy: -0.501
local terms energy: -62.706818
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -9.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -113.976562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.976562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.976562 (E_RNA)
where:
Base-Base interactions energy: -52.685
where: short stacking energy: -48.243
Base-Backbone interact. energy: -0.147
local terms energy: -61.143840
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -6.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 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: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -173.617927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.617927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.617927 (E_RNA)
where:
Base-Base interactions energy: -100.606
where: short stacking energy: -55.026
Base-Backbone interact. energy: -0.001
local terms energy: -73.011266
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -5.770
tors. eta vs tors. theta energy: -19.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -119.789842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.789842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.789842 (E_RNA)
where:
Base-Base interactions energy: -64.352
where: short stacking energy: -33.611
Base-Backbone interact. energy: -0.057
local terms energy: -55.381620
where:
bonds (distance) C4'-P energy: -10.212
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -8.873
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -7.652
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: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -102.070885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.070885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.070885 (E_RNA)
where:
Base-Base interactions energy: -47.297
where: short stacking energy: -45.313
Base-Backbone interact. energy: -0.543
local terms energy: -54.230380
where:
bonds (distance) C4'-P energy: -16.530
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -2.781
tors. eta vs tors. theta energy: -4.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -96.632230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.632230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.632230 (E_RNA)
where:
Base-Base interactions energy: -46.275
where: short stacking energy: -33.595
Base-Backbone interact. energy: -0.243
local terms energy: -50.113436
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -2.540
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: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -86.520861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.520861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.520861 (E_RNA)
where:
Base-Base interactions energy: -30.200
where: short stacking energy: -24.270
Base-Backbone interact. energy: -0.120
local terms energy: -56.200203
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -8.722
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: 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: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -195.983718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.983718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.983718 (E_RNA)
where:
Base-Base interactions energy: -126.591
where: short stacking energy: -66.820
Base-Backbone interact. energy: -0.029
local terms energy: -69.364172
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -12.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 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: 6
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -166.585531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.585531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.585531 (E_RNA)
where:
Base-Base interactions energy: -99.722
where: short stacking energy: -42.697
Base-Backbone interact. energy: 1.539
local terms energy: -68.401858
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -9.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -123.620568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.620568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.620568 (E_RNA)
where:
Base-Base interactions energy: -54.237
where: short stacking energy: -49.771
Base-Backbone interact. energy: 0.525
local terms energy: -69.908134
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -17.341
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -13.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -116.111062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.111062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.111062 (E_RNA)
where:
Base-Base interactions energy: -51.115
where: short stacking energy: -36.959
Base-Backbone interact. energy: -0.888
local terms energy: -64.108506
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -7.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -96.986113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.986113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.986113 (E_RNA)
where:
Base-Base interactions energy: -36.494
where: short stacking energy: -33.818
Base-Backbone interact. energy: -0.175
local terms energy: -60.317146
where:
bonds (distance) C4'-P energy: -9.182
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -5.795
tors. eta vs tors. theta energy: -11.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 7
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -105.406892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.406892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.406892 (E_RNA)
where:
Base-Base interactions energy: -55.188
where: short stacking energy: -33.595
Base-Backbone interact. energy: -0.018
local terms energy: -50.201320
where:
bonds (distance) C4'-P energy: -9.091
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -5.078
tors. eta vs tors. theta energy: -5.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -198.798416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.798416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.798416 (E_RNA)
where:
Base-Base interactions energy: -124.530
where: short stacking energy: -67.734
Base-Backbone interact. energy: -1.363
local terms energy: -72.905747
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -19.156
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -18.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 6
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -188.610703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.610703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.610703 (E_RNA)
where:
Base-Base interactions energy: -119.034
where: short stacking energy: -60.569
Base-Backbone interact. energy: -0.660
local terms energy: -68.916502
where:
bonds (distance) C4'-P energy: -13.525
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -10.415
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: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -151.437478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.437478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.437478 (E_RNA)
where:
Base-Base interactions energy: -98.548
where: short stacking energy: -51.916
Base-Backbone interact. energy: -1.307
local terms energy: -51.582111
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -11.041
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -5.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -119.982378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.982378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.982378 (E_RNA)
where:
Base-Base interactions energy: -57.294
where: short stacking energy: -53.761
Base-Backbone interact. energy: -0.359
local terms energy: -62.329115
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -13.682
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -6.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -106.363991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.363991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.363991 (E_RNA)
where:
Base-Base interactions energy: -46.513
where: short stacking energy: -46.513
Base-Backbone interact. energy: -0.078
local terms energy: -59.773707
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -4.784
tors. eta vs tors. theta energy: -7.530
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: 4
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -99.817767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.817767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.817767 (E_RNA)
where:
Base-Base interactions energy: -37.559
where: short stacking energy: -34.755
Base-Backbone interact. energy: -0.172
local terms energy: -62.086550
where:
bonds (distance) C4'-P energy: -19.167
bonds (distance) P-C4' energy: -10.276
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -13.943
tors. eta vs tors. theta energy: -4.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 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: 7
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -83.470257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.470257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.470257 (E_RNA)
where:
Base-Base interactions energy: -31.252
where: short stacking energy: -25.194
Base-Backbone interact. energy: 1.115
local terms energy: -53.333604
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -0.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -197.825789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.825789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.825789 (E_RNA)
where:
Base-Base interactions energy: -122.458
where: short stacking energy: -56.116
Base-Backbone interact. energy: -0.157
local terms energy: -75.211086
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -17.394
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: 7
Temperature: 0.950000
Total energy: -202.081777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.081777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.081777 (E_RNA)
where:
Base-Base interactions energy: -130.488
where: short stacking energy: -65.434
Base-Backbone interact. energy: 0.567
local terms energy: -72.160716
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -11.150
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -13.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -192.818699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.818699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.818699 (E_RNA)
where:
Base-Base interactions energy: -118.298
where: short stacking energy: -60.023
Base-Backbone interact. energy: -0.093
local terms energy: -74.427673
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -18.053
flat angles C4'-P-C4' energy: -18.790
flat angles P-C4'-P energy: -11.738
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: 1
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -141.742494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.742494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.742494 (E_RNA)
where:
Base-Base interactions energy: -74.796
where: short stacking energy: -51.996
Base-Backbone interact. energy: -1.864
local terms energy: -65.083214
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -6.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -118.618033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.618033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.618033 (E_RNA)
where:
Base-Base interactions energy: -64.437
where: short stacking energy: -44.235
Base-Backbone interact. energy: -0.790
local terms energy: -53.391174
where:
bonds (distance) C4'-P energy: -5.369
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -96.290337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.290337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.290337 (E_RNA)
where:
Base-Base interactions energy: -40.301
where: short stacking energy: -40.301
Base-Backbone interact. energy: 1.212
local terms energy: -57.201646
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -18.391
flat angles C4'-P-C4' energy: -11.800
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: -5.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -121.084960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.084960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.084960 (E_RNA)
where:
Base-Base interactions energy: -60.834
where: short stacking energy: -42.221
Base-Backbone interact. energy: -0.199
local terms energy: -60.052575
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -4.889
tors. eta vs tors. theta energy: -9.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 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: 7
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -93.255099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.255099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.255099 (E_RNA)
where:
Base-Base interactions energy: -35.430
where: short stacking energy: -25.886
Base-Backbone interact. energy: -0.358
local terms energy: -57.466990
where:
bonds (distance) C4'-P energy: -11.145
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -6.787
tors. eta vs tors. theta energy: -7.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -210.906851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.906851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.906851 (E_RNA)
where:
Base-Base interactions energy: -140.065
where: short stacking energy: -63.920
Base-Backbone interact. energy: -0.282
local terms energy: -70.559708
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -13.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -184.580343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.580343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.580343 (E_RNA)
where:
Base-Base interactions energy: -113.555
where: short stacking energy: -53.405
Base-Backbone interact. energy: -0.081
local terms energy: -70.944807
where:
bonds (distance) C4'-P energy: -17.723
bonds (distance) P-C4' energy: -12.269
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -13.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -208.049942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.049942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.049942 (E_RNA)
where:
Base-Base interactions energy: -127.210
where: short stacking energy: -69.344
Base-Backbone interact. energy: -0.003
local terms energy: -80.836216
where:
bonds (distance) C4'-P energy: -18.542
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -21.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -140.222221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.222221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.222221 (E_RNA)
where:
Base-Base interactions energy: -66.806
where: short stacking energy: -37.037
Base-Backbone interact. energy: -1.040
local terms energy: -72.377014
where:
bonds (distance) C4'-P energy: -18.798
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -12.955
tors. eta vs tors. theta energy: -11.086
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: 3
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -131.593847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.593847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.593847 (E_RNA)
where:
Base-Base interactions energy: -65.807
where: short stacking energy: -47.973
Base-Backbone interact. energy: -0.021
local terms energy: -65.765623
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -15.046
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: 9
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -126.560522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.560522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.560522 (E_RNA)
where:
Base-Base interactions energy: -72.028
where: short stacking energy: -33.285
Base-Backbone interact. energy: -0.080
local terms energy: -54.452935
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -1.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -105.273314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.273314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.273314 (E_RNA)
where:
Base-Base interactions energy: -51.173
where: short stacking energy: -33.625
Base-Backbone interact. energy: -0.159
local terms energy: -53.941288
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -3.237
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: 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: 7
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -95.746209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.746209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.746209 (E_RNA)
where:
Base-Base interactions energy: -38.504
where: short stacking energy: -36.738
Base-Backbone interact. energy: -0.121
local terms energy: -57.121289
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -8.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 6
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -209.581390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.581390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.581390 (E_RNA)
where:
Base-Base interactions energy: -129.708
where: short stacking energy: -62.793
Base-Backbone interact. energy: 0.324
local terms energy: -80.197944
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -14.875
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: 2, replica: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -215.515114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.515114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.515114 (E_RNA)
where:
Base-Base interactions energy: -138.559
where: short stacking energy: -61.021
Base-Backbone interact. energy: -0.019
local terms energy: -76.937157
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -18.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -197.120610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.120610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.120610 (E_RNA)
where:
Base-Base interactions energy: -126.428
where: short stacking energy: -59.898
Base-Backbone interact. energy: -0.443
local terms energy: -70.249592
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -17.956
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -10.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -151.057098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.057098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.057098 (E_RNA)
where:
Base-Base interactions energy: -91.059
where: short stacking energy: -58.150
Base-Backbone interact. energy: -0.199
local terms energy: -59.799236
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -7.610
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -11.800
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: 3
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -119.304844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.304844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.304844 (E_RNA)
where:
Base-Base interactions energy: -55.454
where: short stacking energy: -50.603
Base-Backbone interact. energy: -0.233
local terms energy: -63.617459
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -6.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -139.148297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.148297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.148297 (E_RNA)
where:
Base-Base interactions energy: -81.098
where: short stacking energy: -53.439
Base-Backbone interact. energy: -0.238
local terms energy: -57.812257
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -9.742
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -6.475
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: 4
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -95.915901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.915901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.915901 (E_RNA)
where:
Base-Base interactions energy: -39.416
where: short stacking energy: -31.704
Base-Backbone interact. energy: -0.127
local terms energy: -56.372886
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -17.973
flat angles C4'-P-C4' energy: -10.316
flat angles P-C4'-P energy: -7.905
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: 8, replica: 7
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -96.445961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.445961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.445961 (E_RNA)
where:
Base-Base interactions energy: -41.790
where: short stacking energy: -41.715
Base-Backbone interact. energy: 0.123
local terms energy: -54.778832
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -11.826
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -5.607
tors. eta vs tors. theta energy: -9.447
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: 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: 6
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -226.488148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.488148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.488148 (E_RNA)
where:
Base-Base interactions energy: -146.085
where: short stacking energy: -68.473
Base-Backbone interact. energy: -0.112
local terms energy: -80.291051
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -15.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -213.435564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.435564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.435564 (E_RNA)
where:
Base-Base interactions energy: -135.389
where: short stacking energy: -70.580
Base-Backbone interact. energy: -0.354
local terms energy: -77.692896
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -19.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -198.031248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.031248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.031248 (E_RNA)
where:
Base-Base interactions energy: -128.239
where: short stacking energy: -54.128
Base-Backbone interact. energy: -0.302
local terms energy: -69.490090
where:
bonds (distance) C4'-P energy: -16.265
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -10.572
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -11.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -127.117192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.117192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.117192 (E_RNA)
where:
Base-Base interactions energy: -55.891
where: short stacking energy: -55.626
Base-Backbone interact. energy: -1.220
local terms energy: -70.006547
where:
bonds (distance) C4'-P energy: -17.739
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -10.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -170.661454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.661454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.661454 (E_RNA)
where:
Base-Base interactions energy: -112.051
where: short stacking energy: -51.886
Base-Backbone interact. energy: -0.076
local terms energy: -58.533846
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -10.265
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -10.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -105.412428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.412428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.412428 (E_RNA)
where:
Base-Base interactions energy: -42.278
where: short stacking energy: -38.319
Base-Backbone interact. energy: -0.208
local terms energy: -62.926350
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -8.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -105.441471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.441471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.441471 (E_RNA)
where:
Base-Base interactions energy: -50.540
where: short stacking energy: -37.430
Base-Backbone interact. energy: -0.311
local terms energy: -54.590338
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -0.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -81.443273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.443273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.443273 (E_RNA)
where:
Base-Base interactions energy: -29.449
where: short stacking energy: -28.424
Base-Backbone interact. energy: -0.154
local terms energy: -51.840723
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: 0.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 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: 6
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -217.766193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.766193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.766193 (E_RNA)
where:
Base-Base interactions energy: -142.647
where: short stacking energy: -73.975
Base-Backbone interact. energy: -0.669
local terms energy: -74.449977
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -12.478
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: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -222.274403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.274403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.274403 (E_RNA)
where:
Base-Base interactions energy: -148.930
where: short stacking energy: -66.997
Base-Backbone interact. energy: 0.459
local terms energy: -73.802966
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -18.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -184.977692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.977692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.977692 (E_RNA)
where:
Base-Base interactions energy: -117.521
where: short stacking energy: -57.609
Base-Backbone interact. energy: 1.378
local terms energy: -68.835345
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -17.903
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -8.361
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: 9
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -174.405589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.405589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.405589 (E_RNA)
where:
Base-Base interactions energy: -111.059
where: short stacking energy: -57.145
Base-Backbone interact. energy: 2.695
local terms energy: -66.041784
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -8.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -106.032450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.032450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.032450 (E_RNA)
where:
Base-Base interactions energy: -45.266
where: short stacking energy: -32.657
Base-Backbone interact. energy: 0.108
local terms energy: -60.874979
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -14.447
tors. eta vs tors. theta energy: -4.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -104.176509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.176509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.176509 (E_RNA)
where:
Base-Base interactions energy: -44.004
where: short stacking energy: -31.079
Base-Backbone interact. energy: -0.115
local terms energy: -60.057007
where:
bonds (distance) C4'-P energy: -17.118
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -13.766
tors. eta vs tors. theta energy: 0.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -109.133790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.133790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.133790 (E_RNA)
where:
Base-Base interactions energy: -45.920
where: short stacking energy: -34.112
Base-Backbone interact. energy: -0.196
local terms energy: -63.017247
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -6.600
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: 4
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -95.556542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.556542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.556542 (E_RNA)
where:
Base-Base interactions energy: -35.836
where: short stacking energy: -35.004
Base-Backbone interact. energy: -0.016
local terms energy: -59.703961
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -3.534
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: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -81.380066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.380066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.380066 (E_RNA)
where:
Base-Base interactions energy: -36.801
where: short stacking energy: -21.757
Base-Backbone interact. energy: -1.175
local terms energy: -43.403837
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -10.987
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -10.171
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: 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: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -214.431360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.431360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.431360 (E_RNA)
where:
Base-Base interactions energy: -129.579
where: short stacking energy: -67.543
Base-Backbone interact. energy: -0.447
local terms energy: -84.405466
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -18.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -214.039208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.039208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.039208 (E_RNA)
where:
Base-Base interactions energy: -137.859
where: short stacking energy: -69.246
Base-Backbone interact. energy: -0.128
local terms energy: -76.052513
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -15.432
flat angles C4'-P-C4' energy: -17.324
flat angles P-C4'-P energy: -14.526
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: 3, replica: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -193.918056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.918056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.918056 (E_RNA)
where:
Base-Base interactions energy: -121.846
where: short stacking energy: -56.353
Base-Backbone interact. energy: -0.184
local terms energy: -71.888483
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -18.212
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -15.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -185.116385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.116385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.116385 (E_RNA)
where:
Base-Base interactions energy: -108.402
where: short stacking energy: -48.643
Base-Backbone interact. energy: -0.045
local terms energy: -76.669363
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -15.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -115.998869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.998869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.998869 (E_RNA)
where:
Base-Base interactions energy: -47.824
where: short stacking energy: -39.531
Base-Backbone interact. energy: -0.054
local terms energy: -68.120803
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -11.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -101.555578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.555578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.555578 (E_RNA)
where:
Base-Base interactions energy: -40.466
where: short stacking energy: -40.466
Base-Backbone interact. energy: -0.089
local terms energy: -61.001220
where:
bonds (distance) C4'-P energy: -16.530
bonds (distance) P-C4' energy: -15.475
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -6.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -93.724968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.724968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.724968 (E_RNA)
where:
Base-Base interactions energy: -50.543
where: short stacking energy: -40.161
Base-Backbone interact. energy: -0.059
local terms energy: -43.122975
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -8.848
flat angles C4'-P-C4' energy: -8.020
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -5.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -93.127238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.127238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.127238 (E_RNA)
where:
Base-Base interactions energy: -33.872
where: short stacking energy: -25.789
Base-Backbone interact. energy: -0.005
local terms energy: -59.250198
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -9.628
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -3.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 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: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -87.685405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.685405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.685405 (E_RNA)
where:
Base-Base interactions energy: -34.769
where: short stacking energy: -33.210
Base-Backbone interact. energy: -0.108
local terms energy: -52.808327
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -7.218
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -5.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -219.210498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.210498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.210498 (E_RNA)
where:
Base-Base interactions energy: -129.270
where: short stacking energy: -61.838
Base-Backbone interact. energy: -0.003
local terms energy: -89.937578
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -19.387
flat angles P-C4'-P energy: -12.856
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: 5
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -229.035628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.035628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.035628 (E_RNA)
where:
Base-Base interactions energy: -156.028
where: short stacking energy: -69.944
Base-Backbone interact. energy: -0.277
local terms energy: -72.730478
where:
bonds (distance) C4'-P energy: -18.397
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -11.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -215.208625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.208625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.208625 (E_RNA)
where:
Base-Base interactions energy: -145.978
where: short stacking energy: -71.236
Base-Backbone interact. energy: 0.054
local terms energy: -69.284904
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -8.680
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -14.532
tors. eta vs tors. theta energy: -16.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -177.457513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.457513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.457513 (E_RNA)
where:
Base-Base interactions energy: -108.663
where: short stacking energy: -58.202
Base-Backbone interact. energy: -0.018
local terms energy: -68.777302
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -16.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -129.707626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.707626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.707626 (E_RNA)
where:
Base-Base interactions energy: -71.370
where: short stacking energy: -38.082
Base-Backbone interact. energy: -0.929
local terms energy: -57.408341
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -5.547
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: 6, replica: 1
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -111.653932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.653932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.653932 (E_RNA)
where:
Base-Base interactions energy: -47.645
where: short stacking energy: -42.667
Base-Backbone interact. energy: -0.073
local terms energy: -63.935622
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -19.280
flat angles P-C4'-P energy: -9.596
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: 7, replica: 4
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -120.475995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.475995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.475995 (E_RNA)
where:
Base-Base interactions energy: -61.065
where: short stacking energy: -34.837
Base-Backbone interact. energy: -0.777
local terms energy: -58.634567
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -1.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 3
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -83.048378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.048378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.048378 (E_RNA)
where:
Base-Base interactions energy: -34.365
where: short stacking energy: -34.365
Base-Backbone interact. energy: -0.092
local terms energy: -48.591284
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -6.526
tors. eta vs tors. theta energy: -5.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -85.568414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.568414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.568414 (E_RNA)
where:
Base-Base interactions energy: -29.069
where: short stacking energy: -24.409
Base-Backbone interact. energy: -0.408
local terms energy: -56.091700
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -3.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -229.374400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.374400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.374400 (E_RNA)
where:
Base-Base interactions energy: -154.879
where: short stacking energy: -65.329
Base-Backbone interact. energy: -0.447
local terms energy: -74.048264
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -12.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -219.949206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.949206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.949206 (E_RNA)
where:
Base-Base interactions energy: -139.815
where: short stacking energy: -65.785
Base-Backbone interact. energy: -0.089
local terms energy: -80.044409
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -12.835
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: 3, replica: 9
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -191.662716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.662716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.662716 (E_RNA)
where:
Base-Base interactions energy: -108.625
where: short stacking energy: -63.424
Base-Backbone interact. energy: -0.002
local terms energy: -83.036322
where:
bonds (distance) C4'-P energy: -16.899
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -18.964
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -19.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -196.825455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.825455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.825455 (E_RNA)
where:
Base-Base interactions energy: -128.751
where: short stacking energy: -63.643
Base-Backbone interact. energy: 0.294
local terms energy: -68.367955
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -13.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -121.485295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.485295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.485295 (E_RNA)
where:
Base-Base interactions energy: -53.219
where: short stacking energy: -36.278
Base-Backbone interact. energy: -0.156
local terms energy: -68.110425
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -15.074
tors. eta vs tors. theta energy: -7.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -105.417874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.417874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.417874 (E_RNA)
where:
Base-Base interactions energy: -43.259
where: short stacking energy: -38.089
Base-Backbone interact. energy: -0.026
local terms energy: -62.132581
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -9.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -115.718567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.718567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.718567 (E_RNA)
where:
Base-Base interactions energy: -59.504
where: short stacking energy: -46.170
Base-Backbone interact. energy: -0.231
local terms energy: -55.983764
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -11.316
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -6.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: -94.527824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.527824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.527824 (E_RNA)
where:
Base-Base interactions energy: -44.069
where: short stacking energy: -42.745
Base-Backbone interact. energy: -0.553
local terms energy: -49.905773
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -10.532
flat angles P-C4'-P energy: -6.558
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: 10, replica: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -89.477904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.477904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.477904 (E_RNA)
where:
Base-Base interactions energy: -37.625
where: short stacking energy: -31.138
Base-Backbone interact. energy: -0.118
local terms energy: -51.735347
where:
bonds (distance) C4'-P energy: -9.765
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -9.999
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -4.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -235.266984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.266984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.266984 (E_RNA)
where:
Base-Base interactions energy: -156.810
where: short stacking energy: -72.447
Base-Backbone interact. energy: 0.786
local terms energy: -79.242518
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -18.545
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -13.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -215.467652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.467652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.467652 (E_RNA)
where:
Base-Base interactions energy: -142.227
where: short stacking energy: -58.761
Base-Backbone interact. energy: -0.107
local terms energy: -73.133917
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -17.962
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -7.682
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: 3, replica: 9
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -196.468333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.468333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.468333 (E_RNA)
where:
Base-Base interactions energy: -112.534
where: short stacking energy: -69.115
Base-Backbone interact. energy: -0.018
local terms energy: -83.917046
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -16.732
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -23.663
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: 15
Temperature: 1.050000
Total energy: -169.689717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.689717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.689717 (E_RNA)
where:
Base-Base interactions energy: -97.861
where: short stacking energy: -55.330
Base-Backbone interact. energy: -0.949
local terms energy: -70.880130
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -11.342
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: 5, replica: 7
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -148.099896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.099896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.099896 (E_RNA)
where:
Base-Base interactions energy: -85.445
where: short stacking energy: -30.368
Base-Backbone interact. energy: -0.403
local terms energy: -62.251238
where:
bonds (distance) C4'-P energy: -17.619
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -4.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -112.216588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.216588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.216588 (E_RNA)
where:
Base-Base interactions energy: -56.228
where: short stacking energy: -43.162
Base-Backbone interact. energy: -0.173
local terms energy: -55.815597
where:
bonds (distance) C4'-P energy: -9.067
bonds (distance) P-C4' energy: -18.488
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -6.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -96.603572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.603572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.603572 (E_RNA)
where:
Base-Base interactions energy: -42.530
where: short stacking energy: -31.060
Base-Backbone interact. energy: 1.019
local terms energy: -55.092055
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -4.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -98.197350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.197350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.197350 (E_RNA)
where:
Base-Base interactions energy: -38.908
where: short stacking energy: -37.646
Base-Backbone interact. energy: -0.010
local terms energy: -59.279880
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -6.724
tors. eta vs tors. theta energy: -8.700
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: 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: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -84.703242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.703242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.703242 (E_RNA)
where:
Base-Base interactions energy: -33.107
where: short stacking energy: -30.827
Base-Backbone interact. energy: -0.405
local terms energy: -51.190379
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -11.246
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: 0.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -231.370560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.370560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.370560 (E_RNA)
where:
Base-Base interactions energy: -153.786
where: short stacking energy: -63.956
Base-Backbone interact. energy: -1.376
local terms energy: -76.208360
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -14.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -216.926324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.926324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.926324 (E_RNA)
where:
Base-Base interactions energy: -142.710
where: short stacking energy: -66.351
Base-Backbone interact. energy: -0.202
local terms energy: -74.015036
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -3.063
tors. eta vs tors. theta energy: -15.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -188.258039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.258039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.258039 (E_RNA)
where:
Base-Base interactions energy: -115.103
where: short stacking energy: -66.740
Base-Backbone interact. energy: 0.017
local terms energy: -73.172229
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -18.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -159.459592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.459592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.459592 (E_RNA)
where:
Base-Base interactions energy: -89.646
where: short stacking energy: -57.692
Base-Backbone interact. energy: -1.751
local terms energy: -68.062902
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -9.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -155.646213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.646213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.646213 (E_RNA)
where:
Base-Base interactions energy: -88.823
where: short stacking energy: -42.740
Base-Backbone interact. energy: -0.342
local terms energy: -66.481163
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -9.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -114.227342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.227342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.227342 (E_RNA)
where:
Base-Base interactions energy: -53.064
where: short stacking energy: -53.064
Base-Backbone interact. energy: 1.078
local terms energy: -62.241293
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -10.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -100.741149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.741149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.741149 (E_RNA)
where:
Base-Base interactions energy: -35.234
where: short stacking energy: -35.196
Base-Backbone interact. energy: -0.043
local terms energy: -65.464143
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -8.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -90.031608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.031608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.031608 (E_RNA)
where:
Base-Base interactions energy: -31.907
where: short stacking energy: -31.763
Base-Backbone interact. energy: -0.198
local terms energy: -57.926079
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -5.979
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: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -90.281704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.281704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.281704 (E_RNA)
where:
Base-Base interactions energy: -43.165
where: short stacking energy: -42.315
Base-Backbone interact. energy: -0.906
local terms energy: -46.210219
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -6.323
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -2.342
tors. eta vs tors. theta energy: -4.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 5
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -237.208865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.208865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.208865 (E_RNA)
where:
Base-Base interactions energy: -155.443
where: short stacking energy: -68.819
Base-Backbone interact. energy: -0.038
local terms energy: -81.728133
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -17.525
flat angles C4'-P-C4' energy: -20.835
flat angles P-C4'-P energy: -14.075
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: 2, replica: 9
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -220.407129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.407129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.407129 (E_RNA)
where:
Base-Base interactions energy: -129.443
where: short stacking energy: -73.730
Base-Backbone interact. energy: -0.113
local terms energy: -90.850591
where:
bonds (distance) C4'-P energy: -18.168
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -19.297
flat angles P-C4'-P energy: -15.463
tors. eta vs tors. theta energy: -24.278
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: 17
Temperature: 1.000000
Total energy: -204.189226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.189226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.189226 (E_RNA)
where:
Base-Base interactions energy: -132.624
where: short stacking energy: -63.420
Base-Backbone interact. energy: -0.026
local terms energy: -71.539389
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -11.288
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -18.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -174.936477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.936477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.936477 (E_RNA)
where:
Base-Base interactions energy: -105.296
where: short stacking energy: -54.104
Base-Backbone interact. energy: -0.499
local terms energy: -69.141396
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -16.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -173.586492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.586492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.586492 (E_RNA)
where:
Base-Base interactions energy: -113.815
where: short stacking energy: -54.925
Base-Backbone interact. energy: 1.805
local terms energy: -61.576981
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -8.032
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -13.771
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: 3
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -109.254045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.254045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.254045 (E_RNA)
where:
Base-Base interactions energy: -48.143
where: short stacking energy: -32.905
Base-Backbone interact. energy: -0.019
local terms energy: -61.091942
where:
bonds (distance) C4'-P energy: -16.559
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -3.730
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: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -93.914762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.914762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.914762 (E_RNA)
where:
Base-Base interactions energy: -37.802
where: short stacking energy: -33.825
Base-Backbone interact. energy: 0.602
local terms energy: -56.714507
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -11.358
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -5.487
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: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -100.606525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.606525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.606525 (E_RNA)
where:
Base-Base interactions energy: -44.700
where: short stacking energy: -16.376
Base-Backbone interact. energy: -0.282
local terms energy: -55.624717
where:
bonds (distance) C4'-P energy: -8.136
bonds (distance) P-C4' energy: -19.758
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -11.564
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: 1
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -86.640037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.640037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.640037 (E_RNA)
where:
Base-Base interactions energy: -33.056
where: short stacking energy: -26.167
Base-Backbone interact. energy: -0.112
local terms energy: -53.472555
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -5.856
tors. eta vs tors. theta energy: -2.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 5
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -236.395578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.395578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.395578 (E_RNA)
where:
Base-Base interactions energy: -159.389
where: short stacking energy: -65.524
Base-Backbone interact. energy: -0.076
local terms energy: -76.930868
where:
bonds (distance) C4'-P energy: -17.040
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -14.649
tors. eta vs tors. theta energy: -12.963
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: 9
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -212.782287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.782287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.782287 (E_RNA)
where:
Base-Base interactions energy: -126.189
where: short stacking energy: -72.102
Base-Backbone interact. energy: -0.050
local terms energy: -86.543242
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -19.053
flat angles C4'-P-C4' energy: -19.131
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -23.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -207.520460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.520460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.520460 (E_RNA)
where:
Base-Base interactions energy: -132.703
where: short stacking energy: -70.762
Base-Backbone interact. energy: -0.274
local terms energy: -74.543908
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -13.855
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: 4, replica: 6
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -153.726350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.726350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.726350 (E_RNA)
where:
Base-Base interactions energy: -90.567
where: short stacking energy: -50.479
Base-Backbone interact. energy: 0.014
local terms energy: -63.173234
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -12.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -173.335212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.335212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.335212 (E_RNA)
where:
Base-Base interactions energy: -111.600
where: short stacking energy: -43.913
Base-Backbone interact. energy: -1.080
local terms energy: -60.654884
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -10.080
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -10.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -92.618790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.618790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.618790 (E_RNA)
where:
Base-Base interactions energy: -33.048
where: short stacking energy: -30.283
Base-Backbone interact. energy: -0.472
local terms energy: -59.098038
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -18.504
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -2.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -105.236007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.236007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.236007 (E_RNA)
where:
Base-Base interactions energy: -44.334
where: short stacking energy: -41.792
Base-Backbone interact. energy: -0.021
local terms energy: -60.881335
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -4.681
tors. eta vs tors. theta energy: -12.505
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: 4
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -92.297217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.297217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.297217 (E_RNA)
where:
Base-Base interactions energy: -42.499
where: short stacking energy: -30.072
Base-Backbone interact. energy: -0.169
local terms energy: -49.629638
where:
bonds (distance) C4'-P energy: -10.307
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -4.523
tors. eta vs tors. theta energy: -6.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 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: 1
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -88.429401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.429401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.429401 (E_RNA)
where:
Base-Base interactions energy: -39.638
where: short stacking energy: -25.525
Base-Backbone interact. energy: 0.501
local terms energy: -49.292388
where:
bonds (distance) C4'-P energy: -16.767
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -8.590
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -1.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -227.557124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.557124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.557124 (E_RNA)
where:
Base-Base interactions energy: -159.818
where: short stacking energy: -62.655
Base-Backbone interact. energy: -0.073
local terms energy: -67.666852
where:
bonds (distance) C4'-P energy: -16.849
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -10.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -212.443930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.443930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.443930 (E_RNA)
where:
Base-Base interactions energy: -130.244
where: short stacking energy: -69.673
Base-Backbone interact. energy: -0.015
local terms energy: -82.184712
where:
bonds (distance) C4'-P energy: -17.620
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -18.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -185.565138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.565138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.565138 (E_RNA)
where:
Base-Base interactions energy: -112.992
where: short stacking energy: -53.262
Base-Backbone interact. energy: -0.675
local terms energy: -71.898213
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -15.329
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: 6
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -173.639471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.639471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.639471 (E_RNA)
where:
Base-Base interactions energy: -105.509
where: short stacking energy: -57.054
Base-Backbone interact. energy: -0.895
local terms energy: -67.234801
where:
bonds (distance) C4'-P energy: -17.942
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -10.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -188.420118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.420118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.420118 (E_RNA)
where:
Base-Base interactions energy: -114.545
where: short stacking energy: -65.388
Base-Backbone interact. energy: 1.939
local terms energy: -75.813808
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -16.351
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -14.045
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: 6, replica: 8
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -97.524504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.524504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.524504 (E_RNA)
where:
Base-Base interactions energy: -48.787
where: short stacking energy: -40.339
Base-Backbone interact. energy: 0.174
local terms energy: -48.911324
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -9.482
flat angles P-C4'-P energy: -5.664
tors. eta vs tors. theta energy: -5.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -103.939479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.939479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.939479 (E_RNA)
where:
Base-Base interactions energy: -42.393
where: short stacking energy: -32.392
Base-Backbone interact. energy: -0.541
local terms energy: -61.004828
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -5.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 4
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -116.548437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.548437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.548437 (E_RNA)
where:
Base-Base interactions energy: -56.228
where: short stacking energy: -31.693
Base-Backbone interact. energy: -0.585
local terms energy: -59.734987
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -18.229
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -9.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -85.812542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.812542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.812542 (E_RNA)
where:
Base-Base interactions energy: -39.977
where: short stacking energy: -30.663
Base-Backbone interact. energy: -1.017
local terms energy: -44.818596
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -9.141
flat angles P-C4'-P energy: -5.431
tors. eta vs tors. theta energy: -3.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -246.034632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.034632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.034632 (E_RNA)
where:
Base-Base interactions energy: -176.147
where: short stacking energy: -71.333
Base-Backbone interact. energy: -0.189
local terms energy: -69.699284
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -14.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -217.982329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.982329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.982329 (E_RNA)
where:
Base-Base interactions energy: -139.913
where: short stacking energy: -71.706
Base-Backbone interact. energy: -0.021
local terms energy: -78.048073
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -17.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -197.324386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.324386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.324386 (E_RNA)
where:
Base-Base interactions energy: -119.425
where: short stacking energy: -58.024
Base-Backbone interact. energy: -0.103
local terms energy: -77.797104
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: -13.772
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: 6
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -168.305237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.305237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.305237 (E_RNA)
where:
Base-Base interactions energy: -93.547
where: short stacking energy: -56.166
Base-Backbone interact. energy: -0.645
local terms energy: -74.113423
where:
bonds (distance) C4'-P energy: -17.780
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -10.758
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -13.957
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: 5, replica: 7
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -191.352728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.352728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.352728 (E_RNA)
where:
Base-Base interactions energy: -122.232
where: short stacking energy: -67.876
Base-Backbone interact. energy: -0.036
local terms energy: -69.085037
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -17.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -113.031958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.031958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.031958 (E_RNA)
where:
Base-Base interactions energy: -48.664
where: short stacking energy: -42.028
Base-Backbone interact. energy: -0.118
local terms energy: -64.249536
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -16.137
flat angles C4'-P-C4' energy: -19.969
flat angles P-C4'-P energy: -6.612
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: 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: 3
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -96.734987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.734987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.734987 (E_RNA)
where:
Base-Base interactions energy: -41.615
where: short stacking energy: -40.173
Base-Backbone interact. energy: -0.076
local terms energy: -55.044468
where:
bonds (distance) C4'-P energy: -9.795
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -4.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -88.729007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.729007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.729007 (E_RNA)
where:
Base-Base interactions energy: -37.150
where: short stacking energy: -26.253
Base-Backbone interact. energy: -0.061
local terms energy: -51.518219
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -6.015
tors. eta vs tors. theta energy: -0.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -83.267062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.267062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.267062 (E_RNA)
where:
Base-Base interactions energy: -24.635
where: short stacking energy: -22.912
Base-Backbone interact. energy: -0.006
local terms energy: -58.626825
where:
bonds (distance) C4'-P energy: -18.439
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -8.295
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -1.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -239.424932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.424932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.424932 (E_RNA)
where:
Base-Base interactions energy: -160.652
where: short stacking energy: -64.404
Base-Backbone interact. energy: -0.004
local terms energy: -78.769049
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -19.121
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -14.205
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: 2, replica: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -215.479566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.479566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.479566 (E_RNA)
where:
Base-Base interactions energy: -136.757
where: short stacking energy: -66.992
Base-Backbone interact. energy: -0.330
local terms energy: -78.392641
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -18.777
flat angles P-C4'-P energy: -14.895
tors. eta vs tors. theta energy: -15.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -173.353112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.353112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.353112 (E_RNA)
where:
Base-Base interactions energy: -104.969
where: short stacking energy: -56.833
Base-Backbone interact. energy: -0.026
local terms energy: -68.357594
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -17.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -184.143269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.143269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.143269 (E_RNA)
where:
Base-Base interactions energy: -116.363
where: short stacking energy: -53.593
Base-Backbone interact. energy: -1.900
local terms energy: -65.880471
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -10.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -176.852344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.852344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.852344 (E_RNA)
where:
Base-Base interactions energy: -110.098
where: short stacking energy: -49.282
Base-Backbone interact. energy: -0.046
local terms energy: -66.708662
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -15.943
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -9.997
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: 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: 8
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -101.983122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.983122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.983122 (E_RNA)
where:
Base-Base interactions energy: -39.025
where: short stacking energy: -23.642
Base-Backbone interact. energy: -0.122
local terms energy: -62.836472
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -9.852
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: 8, replica: 3
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -107.450186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.450186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.450186 (E_RNA)
where:
Base-Base interactions energy: -49.089
where: short stacking energy: -29.795
Base-Backbone interact. energy: -0.057
local terms energy: -58.304376
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -1.601
tors. eta vs tors. theta energy: -6.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -82.495748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.495748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.495748 (E_RNA)
where:
Base-Base interactions energy: -33.037
where: short stacking energy: -22.914
Base-Backbone interact. energy: -0.430
local terms energy: -49.029079
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -12.773
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -2.738
tors. eta vs tors. theta energy: -6.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -84.435356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.435356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.435356 (E_RNA)
where:
Base-Base interactions energy: -33.250
where: short stacking energy: -30.271
Base-Backbone interact. energy: -0.218
local terms energy: -50.966951
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -2.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -215.698449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.698449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.698449 (E_RNA)
where:
Base-Base interactions energy: -138.175
where: short stacking energy: -61.252
Base-Backbone interact. energy: -0.048
local terms energy: -77.475188
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -16.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -229.430037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.430037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.430037 (E_RNA)
where:
Base-Base interactions energy: -155.780
where: short stacking energy: -64.711
Base-Backbone interact. energy: -0.111
local terms energy: -73.539028
where:
bonds (distance) C4'-P energy: -16.654
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -14.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -207.349541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.349541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.349541 (E_RNA)
where:
Base-Base interactions energy: -124.556
where: short stacking energy: -66.355
Base-Backbone interact. energy: -0.431
local terms energy: -82.362077
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -18.559
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -13.795
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: 4, replica: 9
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -175.419829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.419829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.419829 (E_RNA)
where:
Base-Base interactions energy: -108.753
where: short stacking energy: -57.057
Base-Backbone interact. energy: -1.185
local terms energy: -65.482427
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -12.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -164.428984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.428984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.428984 (E_RNA)
where:
Base-Base interactions energy: -93.679
where: short stacking energy: -57.743
Base-Backbone interact. energy: -0.120
local terms energy: -70.629923
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -17.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -111.279984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.279984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.279984 (E_RNA)
where:
Base-Base interactions energy: -48.357
where: short stacking energy: -45.308
Base-Backbone interact. energy: -0.181
local terms energy: -62.742353
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -5.780
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: 7, replica: 3
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -148.094751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.094751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.094751 (E_RNA)
where:
Base-Base interactions energy: -83.383
where: short stacking energy: -46.978
Base-Backbone interact. energy: 0.188
local terms energy: -64.900134
where:
bonds (distance) C4'-P energy: -13.351
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -8.992
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: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -106.054916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.054916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.054916 (E_RNA)
where:
Base-Base interactions energy: -44.441
where: short stacking energy: -38.447
Base-Backbone interact. energy: 0.088
local terms energy: -61.701931
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -6.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -81.371620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.371620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.371620 (E_RNA)
where:
Base-Base interactions energy: -24.657
where: short stacking energy: -14.929
Base-Backbone interact. energy: 0.591
local terms energy: -57.305441
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: 0.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -88.830032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.830032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.830032 (E_RNA)
where:
Base-Base interactions energy: -32.781
where: short stacking energy: -25.323
Base-Backbone interact. energy: -0.063
local terms energy: -55.985692
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -1.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -220.406890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.406890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.406890 (E_RNA)
where:
Base-Base interactions energy: -143.468
where: short stacking energy: -65.840
Base-Backbone interact. energy: -0.190
local terms energy: -76.748921
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -21.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -251.256062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.256062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.256062 (E_RNA)
where:
Base-Base interactions energy: -178.607
where: short stacking energy: -71.344
Base-Backbone interact. energy: -0.187
local terms energy: -72.462227
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -13.493
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: 3, replica: 7
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -213.971491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.971491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.971491 (E_RNA)
where:
Base-Base interactions energy: -134.443
where: short stacking energy: -72.431
Base-Backbone interact. energy: -0.671
local terms energy: -78.857001
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -22.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -170.175051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.175051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.175051 (E_RNA)
where:
Base-Base interactions energy: -98.376
where: short stacking energy: -64.314
Base-Backbone interact. energy: -1.041
local terms energy: -70.758462
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -14.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -167.066202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.066202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.066202 (E_RNA)
where:
Base-Base interactions energy: -91.013
where: short stacking energy: -56.951
Base-Backbone interact. energy: -0.042
local terms energy: -76.011626
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -12.499
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: 6, replica: 3
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -150.914981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.914981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.914981 (E_RNA)
where:
Base-Base interactions energy: -84.058
where: short stacking energy: -44.878
Base-Backbone interact. energy: -0.006
local terms energy: -66.850846
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -9.916
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: 10
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -99.699993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.699993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.699993 (E_RNA)
where:
Base-Base interactions energy: -33.477
where: short stacking energy: -24.125
Base-Backbone interact. energy: -0.191
local terms energy: -66.031838
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -5.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -96.266296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.266296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.266296 (E_RNA)
where:
Base-Base interactions energy: -36.968
where: short stacking energy: -27.627
Base-Backbone interact. energy: -0.057
local terms energy: -59.241557
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -7.031
tors. eta vs tors. theta energy: -1.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -91.779636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.779636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.779636 (E_RNA)
where:
Base-Base interactions energy: -38.044
where: short stacking energy: -38.044
Base-Backbone interact. energy: 0.616
local terms energy: -54.352075
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -8.660
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -5.389
tors. eta vs tors. theta energy: -9.491
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: 1
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -84.687503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.687503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.687503 (E_RNA)
where:
Base-Base interactions energy: -26.777
where: short stacking energy: -27.270
Base-Backbone interact. energy: -0.638
local terms energy: -57.272224
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -4.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -255.101016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.101016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.101016 (E_RNA)
where:
Base-Base interactions energy: -178.891
where: short stacking energy: -69.867
Base-Backbone interact. energy: 0.333
local terms energy: -76.542953
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -18.030
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -15.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -218.651730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.651730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.651730 (E_RNA)
where:
Base-Base interactions energy: -140.648
where: short stacking energy: -75.182
Base-Backbone interact. energy: -0.287
local terms energy: -77.716633
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -10.172
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: 3, replica: 6
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -190.978027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.978027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.978027 (E_RNA)
where:
Base-Base interactions energy: -105.757
where: short stacking energy: -59.333
Base-Backbone interact. energy: -0.018
local terms energy: -85.203023
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -19.281
flat angles C4'-P-C4' energy: -19.922
flat angles P-C4'-P energy: -13.321
tors. eta vs tors. theta energy: -14.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -193.500593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.500593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.500593 (E_RNA)
where:
Base-Base interactions energy: -120.489
where: short stacking energy: -58.650
Base-Backbone interact. energy: -0.101
local terms energy: -72.909965
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -14.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -164.337728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.337728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.337728 (E_RNA)
where:
Base-Base interactions energy: -106.143
where: short stacking energy: -57.324
Base-Backbone interact. energy: -0.098
local terms energy: -58.096773
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -9.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -139.226200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.226200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.226200 (E_RNA)
where:
Base-Base interactions energy: -79.022
where: short stacking energy: -45.195
Base-Backbone interact. energy: -0.269
local terms energy: -59.935561
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -10.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -94.982408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.982408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.982408 (E_RNA)
where:
Base-Base interactions energy: -39.121
where: short stacking energy: -35.166
Base-Backbone interact. energy: -0.125
local terms energy: -55.736210
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -11.291
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -4.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -89.623224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.623224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.623224 (E_RNA)
where:
Base-Base interactions energy: -41.080
where: short stacking energy: -41.080
Base-Backbone interact. energy: -0.239
local terms energy: -48.305030
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -6.379
tors. eta vs tors. theta energy: -6.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -98.345429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.345429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.345429 (E_RNA)
where:
Base-Base interactions energy: -48.191
where: short stacking energy: -28.130
Base-Backbone interact. energy: -0.643
local terms energy: -49.510790
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: 2.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -81.372223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.372223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.372223 (E_RNA)
where:
Base-Base interactions energy: -36.705
where: short stacking energy: -28.155
Base-Backbone interact. energy: -0.256
local terms energy: -44.411470
where:
bonds (distance) C4'-P energy: -8.009
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -2.230
tors. eta vs tors. theta energy: -3.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -243.649709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.649709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.649709 (E_RNA)
where:
Base-Base interactions energy: -175.619
where: short stacking energy: -63.390
Base-Backbone interact. energy: 3.059
local terms energy: -71.089993
where:
bonds (distance) C4'-P energy: -18.550
bonds (distance) P-C4' energy: -13.413
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -14.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -195.652100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.652100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.652100 (E_RNA)
where:
Base-Base interactions energy: -126.251
where: short stacking energy: -55.155
Base-Backbone interact. energy: -0.296
local terms energy: -69.105062
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -11.433
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: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -204.821515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.821515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.821515 (E_RNA)
where:
Base-Base interactions energy: -135.608
where: short stacking energy: -57.553
Base-Backbone interact. energy: 0.088
local terms energy: -69.301652
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -15.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -196.373417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.373417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.373417 (E_RNA)
where:
Base-Base interactions energy: -125.401
where: short stacking energy: -46.724
Base-Backbone interact. energy: -0.077
local terms energy: -70.895988
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -14.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -197.992238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.992238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.992238 (E_RNA)
where:
Base-Base interactions energy: -130.282
where: short stacking energy: -62.514
Base-Backbone interact. energy: -0.671
local terms energy: -67.039097
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -11.981
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -10.082
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: 25
Temperature: 1.150000
Total energy: -148.751104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.751104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.751104 (E_RNA)
where:
Base-Base interactions energy: -78.234
where: short stacking energy: -47.415
Base-Backbone interact. energy: 1.049
local terms energy: -71.565613
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -18.280
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -11.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -107.629575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.629575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.629575 (E_RNA)
where:
Base-Base interactions energy: -51.703
where: short stacking energy: -30.134
Base-Backbone interact. energy: -0.481
local terms energy: -55.445935
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -11.948
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -4.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -98.135976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.135976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.135976 (E_RNA)
where:
Base-Base interactions energy: -47.254
where: short stacking energy: -47.254
Base-Backbone interact. energy: -0.257
local terms energy: -50.624995
where:
bonds (distance) C4'-P energy: -10.019
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -5.738
tors. eta vs tors. theta energy: -6.306
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: 4
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -81.292840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.292840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.292840 (E_RNA)
where:
Base-Base interactions energy: -22.328
where: short stacking energy: -17.804
Base-Backbone interact. energy: -0.151
local terms energy: -58.813917
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -9.162
flat angles P-C4'-P energy: -13.954
tors. eta vs tors. theta energy: -2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -88.562981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.562981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.562981 (E_RNA)
where:
Base-Base interactions energy: -34.929
where: short stacking energy: -28.201
Base-Backbone interact. energy: -0.281
local terms energy: -53.352585
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -4.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -234.105030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.105030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.105030 (E_RNA)
where:
Base-Base interactions energy: -158.350
where: short stacking energy: -71.117
Base-Backbone interact. energy: -0.053
local terms energy: -75.701512
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -19.004
flat angles C4'-P-C4' energy: -19.233
flat angles P-C4'-P energy: -14.058
tors. eta vs tors. theta energy: -11.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -189.974618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.974618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.974618 (E_RNA)
where:
Base-Base interactions energy: -123.163
where: short stacking energy: -62.686
Base-Backbone interact. energy: -0.010
local terms energy: -66.801499
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -17.935
flat angles P-C4'-P energy: -6.823
tors. eta vs tors. theta energy: -12.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -201.125056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.125056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.125056 (E_RNA)
where:
Base-Base interactions energy: -133.641
where: short stacking energy: -60.831
Base-Backbone interact. energy: -0.509
local terms energy: -66.975522
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -9.176
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: 4, replica: 3
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -195.176621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.176621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.176621 (E_RNA)
where:
Base-Base interactions energy: -121.053
where: short stacking energy: -54.048
Base-Backbone interact. energy: 0.368
local terms energy: -74.492110
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -13.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -175.127071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.127071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.127071 (E_RNA)
where:
Base-Base interactions energy: -106.435
where: short stacking energy: -62.730
Base-Backbone interact. energy: -0.107
local terms energy: -68.584439
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -11.832
flat angles C4'-P-C4' energy: -18.214
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -16.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -136.464520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.464520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.464520 (E_RNA)
where:
Base-Base interactions energy: -85.067
where: short stacking energy: -45.926
Base-Backbone interact. energy: -0.241
local terms energy: -51.155891
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -6.586
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -5.438
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: 1
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -101.990768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.990768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.990768 (E_RNA)
where:
Base-Base interactions energy: -46.868
where: short stacking energy: -29.356
Base-Backbone interact. energy: -0.457
local terms energy: -54.665403
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -18.145
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: 1.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -115.121893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.121893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.121893 (E_RNA)
where:
Base-Base interactions energy: -54.557
where: short stacking energy: -27.637
Base-Backbone interact. energy: -2.071
local terms energy: -58.494782
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -9.952
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -3.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -108.912050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.912050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.912050 (E_RNA)
where:
Base-Base interactions energy: -45.353
where: short stacking energy: -44.755
Base-Backbone interact. energy: -0.636
local terms energy: -62.922737
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -8.561
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -11.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -88.050433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.050433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.050433 (E_RNA)
where:
Base-Base interactions energy: -34.488
where: short stacking energy: -26.947
Base-Backbone interact. energy: -0.052
local terms energy: -53.509817
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: 1.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -240.666868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.666868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.666868 (E_RNA)
where:
Base-Base interactions energy: -158.035
where: short stacking energy: -65.931
Base-Backbone interact. energy: -0.269
local terms energy: -82.363513
where:
bonds (distance) C4'-P energy: -18.471
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: -15.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -214.304761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.304761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.304761 (E_RNA)
where:
Base-Base interactions energy: -146.697
where: short stacking energy: -60.926
Base-Backbone interact. energy: -0.079
local terms energy: -67.529399
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -17.444
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -4.939
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: 3, replica: 6
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -208.905552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.905552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.905552 (E_RNA)
where:
Base-Base interactions energy: -129.986
where: short stacking energy: -68.466
Base-Backbone interact. energy: -0.580
local terms energy: -78.339814
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -18.770
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -9.751
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: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -213.247935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.247935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.247935 (E_RNA)
where:
Base-Base interactions energy: -142.772
where: short stacking energy: -58.764
Base-Backbone interact. energy: -0.046
local terms energy: -70.429609
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -12.878
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: 5, replica: 7
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -178.651970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.651970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.651970 (E_RNA)
where:
Base-Base interactions energy: -110.979
where: short stacking energy: -71.956
Base-Backbone interact. energy: -0.435
local terms energy: -67.237498
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -11.577
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -14.093
tors. eta vs tors. theta energy: -16.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -140.167764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.167764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.167764 (E_RNA)
where:
Base-Base interactions energy: -74.830
where: short stacking energy: -44.709
Base-Backbone interact. energy: -0.019
local terms energy: -65.319179
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -7.047
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: 1
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -146.885097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.885097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.885097 (E_RNA)
where:
Base-Base interactions energy: -90.123
where: short stacking energy: -54.002
Base-Backbone interact. energy: -0.067
local terms energy: -56.694999
where:
bonds (distance) C4'-P energy: -6.856
bonds (distance) P-C4' energy: -10.432
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -8.109
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: 8, replica: 10
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -100.849519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.849519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.849519 (E_RNA)
where:
Base-Base interactions energy: -40.076
where: short stacking energy: -24.631
Base-Backbone interact. energy: -0.564
local terms energy: -60.209388
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -15.528
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -7.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -97.069921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.069921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.069921 (E_RNA)
where:
Base-Base interactions energy: -43.423
where: short stacking energy: -24.018
Base-Backbone interact. energy: 0.375
local terms energy: -54.022107
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -11.712
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -14.400
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: 4
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -76.600307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.600307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.600307 (E_RNA)
where:
Base-Base interactions energy: -27.536
where: short stacking energy: -27.017
Base-Backbone interact. energy: 1.162
local terms energy: -50.225670
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -11.781
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -0.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -236.286829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.286829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.286829 (E_RNA)
where:
Base-Base interactions energy: -163.502
where: short stacking energy: -62.321
Base-Backbone interact. energy: -0.219
local terms energy: -72.565895
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -17.973
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -14.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -215.515178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.515178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.515178 (E_RNA)
where:
Base-Base interactions energy: -140.103
where: short stacking energy: -58.131
Base-Backbone interact. energy: -0.429
local terms energy: -74.982332
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -15.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -201.690196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.690196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.690196 (E_RNA)
where:
Base-Base interactions energy: -128.765
where: short stacking energy: -55.302
Base-Backbone interact. energy: -0.726
local terms energy: -72.199157
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -19.426
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -10.475
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: 4, replica: 6
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -189.881530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.881530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.881530 (E_RNA)
where:
Base-Base interactions energy: -120.047
where: short stacking energy: -59.012
Base-Backbone interact. energy: 1.172
local terms energy: -71.005942
where:
bonds (distance) C4'-P energy: -18.800
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -19.429
flat angles P-C4'-P energy: -4.373
tors. eta vs tors. theta energy: -13.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -170.821306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.821306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.821306 (E_RNA)
where:
Base-Base interactions energy: -112.490
where: short stacking energy: -49.913
Base-Backbone interact. energy: -0.151
local terms energy: -58.180436
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -11.212
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -7.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -132.021526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.021526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.021526 (E_RNA)
where:
Base-Base interactions energy: -72.154
where: short stacking energy: -36.207
Base-Backbone interact. energy: -0.596
local terms energy: -59.271595
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -17.795
flat angles C4'-P-C4' energy: -10.569
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -6.366
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: 7, replica: 1
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -167.917910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.917910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.917910 (E_RNA)
where:
Base-Base interactions energy: -100.475
where: short stacking energy: -50.606
Base-Backbone interact. energy: -0.096
local terms energy: -67.346446
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -13.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -95.406329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.406329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.406329 (E_RNA)
where:
Base-Base interactions energy: -48.054
where: short stacking energy: -38.110
Base-Backbone interact. energy: -0.350
local terms energy: -47.002880
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -9.375
flat angles C4'-P-C4' energy: -10.921
flat angles P-C4'-P energy: -6.669
tors. eta vs tors. theta energy: -6.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -95.594750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.594750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.594750 (E_RNA)
where:
Base-Base interactions energy: -36.209
where: short stacking energy: -36.209
Base-Backbone interact. energy: -0.015
local terms energy: -59.370508
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -5.239
tors. eta vs tors. theta energy: -10.322
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: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -84.434503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.434503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.434503 (E_RNA)
where:
Base-Base interactions energy: -29.386
where: short stacking energy: -25.646
Base-Backbone interact. energy: -1.728
local terms energy: -53.320697
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -12.267
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -10.749
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: 5
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -235.192791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.192791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.192791 (E_RNA)
where:
Base-Base interactions energy: -159.641
where: short stacking energy: -56.346
Base-Backbone interact. energy: -0.319
local terms energy: -75.233165
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -18.019
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -11.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -213.334751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.334751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.334751 (E_RNA)
where:
Base-Base interactions energy: -128.550
where: short stacking energy: -72.945
Base-Backbone interact. energy: -0.007
local terms energy: -84.778236
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -23.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -205.340516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.340516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.340516 (E_RNA)
where:
Base-Base interactions energy: -129.754
where: short stacking energy: -66.495
Base-Backbone interact. energy: 0.038
local terms energy: -75.624870
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -17.351
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -13.341
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: 4, replica: 7
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -175.670729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.670729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.670729 (E_RNA)
where:
Base-Base interactions energy: -98.597
where: short stacking energy: -59.742
Base-Backbone interact. energy: -0.163
local terms energy: -76.910832
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -15.841
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: 6
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -171.360512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.360512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.360512 (E_RNA)
where:
Base-Base interactions energy: -103.796
where: short stacking energy: -54.995
Base-Backbone interact. energy: -1.038
local terms energy: -66.525849
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -15.891
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -13.261
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: 1
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -200.381738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.381738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.381738 (E_RNA)
where:
Base-Base interactions energy: -116.143
where: short stacking energy: -59.298
Base-Backbone interact. energy: 0.322
local terms energy: -84.560273
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -18.792
flat angles C4'-P-C4' energy: -17.568
flat angles P-C4'-P energy: -11.246
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: 7, replica: 9
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -121.632536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.632536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.632536 (E_RNA)
where:
Base-Base interactions energy: -63.971
where: short stacking energy: -28.400
Base-Backbone interact. energy: -0.441
local terms energy: -57.220655
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -4.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -88.400959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.400959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.400959 (E_RNA)
where:
Base-Base interactions energy: -38.388
where: short stacking energy: -35.023
Base-Backbone interact. energy: 0.534
local terms energy: -50.546192
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -3.395
tors. eta vs tors. theta energy: -0.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -91.849630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.849630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.849630 (E_RNA)
where:
Base-Base interactions energy: -25.106
where: short stacking energy: -25.406
Base-Backbone interact. energy: -0.087
local terms energy: -66.656892
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -6.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -81.823486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.823486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.823486 (E_RNA)
where:
Base-Base interactions energy: -29.423
where: short stacking energy: -29.423
Base-Backbone interact. energy: -0.197
local terms energy: -52.203528
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -10.099
flat angles P-C4'-P energy: -2.250
tors. eta vs tors. theta energy: -8.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -207.066738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.066738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.066738 (E_RNA)
where:
Base-Base interactions energy: -134.473
where: short stacking energy: -60.703
Base-Backbone interact. energy: -0.089
local terms energy: -72.504818
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -13.962
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -15.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -218.738209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.738209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.738209 (E_RNA)
where:
Base-Base interactions energy: -140.640
where: short stacking energy: -62.031
Base-Backbone interact. energy: -0.915
local terms energy: -77.183081
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: -10.899
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: 3, replica: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -201.120733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.120733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.120733 (E_RNA)
where:
Base-Base interactions energy: -131.069
where: short stacking energy: -54.522
Base-Backbone interact. energy: -0.275
local terms energy: -69.776656
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -10.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -186.402917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.402917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.402917 (E_RNA)
where:
Base-Base interactions energy: -111.220
where: short stacking energy: -58.478
Base-Backbone interact. energy: -0.088
local terms energy: -75.095010
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -12.271
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: 5, replica: 1
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -194.165280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.165280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.165280 (E_RNA)
where:
Base-Base interactions energy: -118.531
where: short stacking energy: -58.437
Base-Backbone interact. energy: -0.352
local terms energy: -75.282419
where:
bonds (distance) C4'-P energy: -18.828
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -6.500
tors. eta vs tors. theta energy: -16.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -166.963988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.963988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.963988 (E_RNA)
where:
Base-Base interactions energy: -109.438
where: short stacking energy: -55.409
Base-Backbone interact. energy: -0.473
local terms energy: -57.052946
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -2.221
tors. eta vs tors. theta energy: -11.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -111.663154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.663154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.663154 (E_RNA)
where:
Base-Base interactions energy: -60.043
where: short stacking energy: -38.762
Base-Backbone interact. energy: -0.109
local terms energy: -51.510978
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -12.911
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -5.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -85.299349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.299349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.299349 (E_RNA)
where:
Base-Base interactions energy: -31.502
where: short stacking energy: -26.395
Base-Backbone interact. energy: -0.215
local terms energy: -53.582958
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -9.424
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -3.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -98.851264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.851264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.851264 (E_RNA)
where:
Base-Base interactions energy: -35.774
where: short stacking energy: -32.326
Base-Backbone interact. energy: -0.475
local terms energy: -62.601958
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -6.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -82.932022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.932022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.932022 (E_RNA)
where:
Base-Base interactions energy: -32.351
where: short stacking energy: -24.199
Base-Backbone interact. energy: 0.461
local terms energy: -51.042627
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -10.408
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: 3
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -212.737139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.737139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.737139 (E_RNA)
where:
Base-Base interactions energy: -140.133
where: short stacking energy: -69.961
Base-Backbone interact. energy: -0.179
local terms energy: -72.425716
where:
bonds (distance) C4'-P energy: -16.886
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -7.538
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: 2, replica: 5
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -217.288366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.288366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.288366 (E_RNA)
where:
Base-Base interactions energy: -147.672
where: short stacking energy: -64.345
Base-Backbone interact. energy: -0.104
local terms energy: -69.512430
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -17.750
flat angles C4'-P-C4' energy: -19.044
flat angles P-C4'-P energy: -5.144
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: 3, replica: 2
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -206.693961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.693961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.693961 (E_RNA)
where:
Base-Base interactions energy: -129.782
where: short stacking energy: -58.583
Base-Backbone interact. energy: -0.644
local terms energy: -76.268814
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -13.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -212.729918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.729918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.729918 (E_RNA)
where:
Base-Base interactions energy: -135.746
where: short stacking energy: -68.087
Base-Backbone interact. energy: -0.081
local terms energy: -76.903435
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -20.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -171.382130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.382130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.382130 (E_RNA)
where:
Base-Base interactions energy: -98.561
where: short stacking energy: -56.436
Base-Backbone interact. energy: -0.079
local terms energy: -72.741992
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -17.351
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -7.973
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: 6, replica: 4
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -122.102253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.102253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.102253 (E_RNA)
where:
Base-Base interactions energy: -58.029
where: short stacking energy: -44.446
Base-Backbone interact. energy: -0.213
local terms energy: -63.859670
where:
bonds (distance) C4'-P energy: -16.332
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -10.265
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -8.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -118.423096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.423096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.423096 (E_RNA)
where:
Base-Base interactions energy: -59.596
where: short stacking energy: -32.490
Base-Backbone interact. energy: -0.519
local terms energy: -58.307362
where:
bonds (distance) C4'-P energy: -17.074
bonds (distance) P-C4' energy: -15.873
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -6.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -89.363808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.363808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.363808 (E_RNA)
where:
Base-Base interactions energy: -35.168
where: short stacking energy: -29.941
Base-Backbone interact. energy: -0.261
local terms energy: -53.934299
where:
bonds (distance) C4'-P energy: -8.416
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -6.298
tors. eta vs tors. theta energy: -8.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -103.598838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.598838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.598838 (E_RNA)
where:
Base-Base interactions energy: -45.997
where: short stacking energy: -25.011
Base-Backbone interact. energy: -0.080
local terms energy: -57.522013
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -2.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -92.953270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.953270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.953270 (E_RNA)
where:
Base-Base interactions energy: -35.029
where: short stacking energy: -28.280
Base-Backbone interact. energy: -0.699
local terms energy: -57.225402
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -7.717
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -8.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -221.284357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.284357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.284357 (E_RNA)
where:
Base-Base interactions energy: -147.509
where: short stacking energy: -69.260
Base-Backbone interact. energy: -0.370
local terms energy: -73.405336
where:
bonds (distance) C4'-P energy: -15.835
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -13.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -216.509951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.509951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.509951 (E_RNA)
where:
Base-Base interactions energy: -135.018
where: short stacking energy: -76.916
Base-Backbone interact. energy: -0.005
local terms energy: -81.487864
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -19.008
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -19.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -218.972981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.972981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.972981 (E_RNA)
where:
Base-Base interactions energy: -140.108
where: short stacking energy: -70.201
Base-Backbone interact. energy: -0.715
local terms energy: -78.150512
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -19.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -192.986416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.986416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.986416 (E_RNA)
where:
Base-Base interactions energy: -133.391
where: short stacking energy: -52.315
Base-Backbone interact. energy: -0.522
local terms energy: -59.073418
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -9.550
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -9.122
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: 32
Temperature: 1.100000
Total energy: -156.806697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.806697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.806697 (E_RNA)
where:
Base-Base interactions energy: -95.637
where: short stacking energy: -45.912
Base-Backbone interact. energy: -0.099
local terms energy: -61.071007
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -7.732
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: 6, replica: 4
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -120.228276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.228276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.228276 (E_RNA)
where:
Base-Base interactions energy: -61.134
where: short stacking energy: -47.517
Base-Backbone interact. energy: 0.014
local terms energy: -59.107463
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -11.166
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: 8
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -89.724286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.724286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.724286 (E_RNA)
where:
Base-Base interactions energy: -28.436
where: short stacking energy: -26.440
Base-Backbone interact. energy: -0.366
local terms energy: -60.921865
where:
bonds (distance) C4'-P energy: -16.656
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -18.020
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -4.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -99.581929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.581929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.581929 (E_RNA)
where:
Base-Base interactions energy: -38.880
where: short stacking energy: -34.890
Base-Backbone interact. energy: -0.239
local terms energy: -60.462215
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -4.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -94.235676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.235676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.235676 (E_RNA)
where:
Base-Base interactions energy: -39.494
where: short stacking energy: -28.833
Base-Backbone interact. energy: -1.109
local terms energy: -53.632340
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -2.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -83.723918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.723918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.723918 (E_RNA)
where:
Base-Base interactions energy: -23.662
where: short stacking energy: -20.911
Base-Backbone interact. energy: -0.084
local terms energy: -59.978791
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -5.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -243.216114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.216114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.216114 (E_RNA)
where:
Base-Base interactions energy: -169.049
where: short stacking energy: -76.893
Base-Backbone interact. energy: -0.232
local terms energy: -73.935544
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -14.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -215.787861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.787861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.787861 (E_RNA)
where:
Base-Base interactions energy: -143.855
where: short stacking energy: -60.171
Base-Backbone interact. energy: -0.023
local terms energy: -71.910520
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -15.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -216.122625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.122625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.122625 (E_RNA)
where:
Base-Base interactions energy: -142.016
where: short stacking energy: -67.574
Base-Backbone interact. energy: -0.047
local terms energy: -74.059804
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -16.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -170.035239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.035239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.035239 (E_RNA)
where:
Base-Base interactions energy: -110.090
where: short stacking energy: -51.448
Base-Backbone interact. energy: -0.094
local terms energy: -59.850985
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -9.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -183.197119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.197119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.197119 (E_RNA)
where:
Base-Base interactions energy: -107.162
where: short stacking energy: -52.463
Base-Backbone interact. energy: -0.677
local terms energy: -75.357908
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -15.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -112.601648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.601648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.601648 (E_RNA)
where:
Base-Base interactions energy: -41.413
where: short stacking energy: -41.413
Base-Backbone interact. energy: -0.090
local terms energy: -71.098935
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -12.639
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: 7, replica: 8
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -103.724305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.724305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.724305 (E_RNA)
where:
Base-Base interactions energy: -56.210
where: short stacking energy: -41.389
Base-Backbone interact. energy: -0.430
local terms energy: -47.084636
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -9.812
flat angles P-C4'-P energy: -7.579
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: 8, replica: 10
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -89.091475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.091475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.091475 (E_RNA)
where:
Base-Base interactions energy: -36.085
where: short stacking energy: -35.619
Base-Backbone interact. energy: -1.610
local terms energy: -51.396383
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -5.108
tors. eta vs tors. theta energy: -1.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -87.397692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.397692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.397692 (E_RNA)
where:
Base-Base interactions energy: -31.318
where: short stacking energy: -31.318
Base-Backbone interact. energy: -0.029
local terms energy: -56.050031
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -10.818
flat angles P-C4'-P energy: -7.733
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: 10, replica: 9
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -84.032123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.032123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.032123 (E_RNA)
where:
Base-Base interactions energy: -27.739
where: short stacking energy: -27.839
Base-Backbone interact. energy: -0.148
local terms energy: -56.146044
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -19.402
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -8.050
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: 1, replica: 5
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -245.829740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.829740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.829740 (E_RNA)
where:
Base-Base interactions energy: -168.060
where: short stacking energy: -72.722
Base-Backbone interact. energy: -0.103
local terms energy: -77.666235
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -18.409
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -15.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -201.394379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.394379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.394379 (E_RNA)
where:
Base-Base interactions energy: -125.786
where: short stacking energy: -62.058
Base-Backbone interact. energy: -0.062
local terms energy: -75.546560
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -13.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -222.540334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.540334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.540334 (E_RNA)
where:
Base-Base interactions energy: -141.349
where: short stacking energy: -75.907
Base-Backbone interact. energy: -0.348
local terms energy: -80.843910
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -20.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -180.441630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.441630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.441630 (E_RNA)
where:
Base-Base interactions energy: -107.209
where: short stacking energy: -55.815
Base-Backbone interact. energy: -0.026
local terms energy: -73.206221
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -12.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -182.875077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.875077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.875077 (E_RNA)
where:
Base-Base interactions energy: -107.148
where: short stacking energy: -60.371
Base-Backbone interact. energy: -0.360
local terms energy: -75.367806
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -20.356
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -18.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -91.680232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.680232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.680232 (E_RNA)
where:
Base-Base interactions energy: -32.069
where: short stacking energy: -26.722
Base-Backbone interact. energy: 0.457
local terms energy: -60.067499
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -16.573
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -3.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -104.134793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.134793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.134793 (E_RNA)
where:
Base-Base interactions energy: -45.047
where: short stacking energy: -40.060
Base-Backbone interact. energy: -0.272
local terms energy: -58.814999
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -5.818
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: 8
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -116.891717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.891717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.891717 (E_RNA)
where:
Base-Base interactions energy: -50.236
where: short stacking energy: -34.399
Base-Backbone interact. energy: -0.051
local terms energy: -66.605661
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -17.222
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -6.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -80.700999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.700999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.700999 (E_RNA)
where:
Base-Base interactions energy: -38.711
where: short stacking energy: -38.711
Base-Backbone interact. energy: -0.045
local terms energy: -41.944150
where:
bonds (distance) C4'-P energy: -9.046
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -4.764
tors. eta vs tors. theta energy: 0.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -91.420298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.420298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.420298 (E_RNA)
where:
Base-Base interactions energy: -35.914
where: short stacking energy: -34.863
Base-Backbone interact. energy: 1.091
local terms energy: -56.596736
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -4.646
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: 1, replica: 5
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -243.725252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.725252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.725252 (E_RNA)
where:
Base-Base interactions energy: -168.983
where: short stacking energy: -72.857
Base-Backbone interact. energy: -1.458
local terms energy: -73.284496
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -15.024
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -11.113
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: 2, replica: 3
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -204.706098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.706098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.706098 (E_RNA)
where:
Base-Base interactions energy: -127.349
where: short stacking energy: -52.673
Base-Backbone interact. energy: -0.373
local terms energy: -76.984431
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -18.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -188.215625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.215625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.215625 (E_RNA)
where:
Base-Base interactions energy: -111.631
where: short stacking energy: -58.248
Base-Backbone interact. energy: 0.077
local terms energy: -76.662095
where:
bonds (distance) C4'-P energy: -15.768
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -18.680
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -16.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -193.945388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.945388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.945388 (E_RNA)
where:
Base-Base interactions energy: -125.898
where: short stacking energy: -65.523
Base-Backbone interact. energy: 0.192
local terms energy: -68.239078
where:
bonds (distance) C4'-P energy: -9.943
bonds (distance) P-C4' energy: -17.676
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -15.750
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: 7
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -181.505979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.505979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.505979 (E_RNA)
where:
Base-Base interactions energy: -117.074
where: short stacking energy: -57.096
Base-Backbone interact. energy: 0.481
local terms energy: -64.913281
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -13.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -102.063317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.063317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.063317 (E_RNA)
where:
Base-Base interactions energy: -49.040
where: short stacking energy: -30.520
Base-Backbone interact. energy: -1.158
local terms energy: -51.865721
where:
bonds (distance) C4'-P energy: -9.554
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -0.953
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: 4
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -109.767199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.767199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.767199 (E_RNA)
where:
Base-Base interactions energy: -47.631
where: short stacking energy: -37.733
Base-Backbone interact. energy: -0.075
local terms energy: -62.061270
where:
bonds (distance) C4'-P energy: -16.808
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -4.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -88.088061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.088061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.088061 (E_RNA)
where:
Base-Base interactions energy: -33.256
where: short stacking energy: -28.008
Base-Backbone interact. energy: 1.390
local terms energy: -56.222006
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -9.940
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: 35
Temperature: 1.300000
Total energy: -86.128763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.128763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.128763 (E_RNA)
where:
Base-Base interactions energy: -34.796
where: short stacking energy: -30.265
Base-Backbone interact. energy: -0.148
local terms energy: -51.185149
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -10.250
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -1.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -88.437361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.437361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.437361 (E_RNA)
where:
Base-Base interactions energy: -32.856
where: short stacking energy: -28.684
Base-Backbone interact. energy: 0.392
local terms energy: -55.973686
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -14.126
flat angles C4'-P-C4' energy: -7.519
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -6.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -241.809047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.809047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.809047 (E_RNA)
where:
Base-Base interactions energy: -161.927
where: short stacking energy: -68.769
Base-Backbone interact. energy: 0.106
local terms energy: -79.988010
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -18.440
flat angles C4'-P-C4' energy: -18.588
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -15.213
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: 3
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -209.094876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.094876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.094876 (E_RNA)
where:
Base-Base interactions energy: -136.038
where: short stacking energy: -65.610
Base-Backbone interact. energy: -0.474
local terms energy: -72.582949
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -18.707
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -16.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -211.251670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.251670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.251670 (E_RNA)
where:
Base-Base interactions energy: -140.629
where: short stacking energy: -61.962
Base-Backbone interact. energy: 0.058
local terms energy: -70.680226
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -6.814
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: 4, replica: 1
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -178.461712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.461712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.461712 (E_RNA)
where:
Base-Base interactions energy: -98.085
where: short stacking energy: -61.490
Base-Backbone interact. energy: -0.255
local terms energy: -80.121446
where:
bonds (distance) C4'-P energy: -16.382
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -18.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -139.090542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.090542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.090542 (E_RNA)
where:
Base-Base interactions energy: -72.937
where: short stacking energy: -42.858
Base-Backbone interact. energy: -0.063
local terms energy: -66.090464
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -9.754
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: 7
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -188.826550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.826550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.826550 (E_RNA)
where:
Base-Base interactions energy: -110.474
where: short stacking energy: -53.205
Base-Backbone interact. energy: -0.093
local terms energy: -78.259991
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -13.865
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: 7, replica: 4
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -103.479029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.479029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.479029 (E_RNA)
where:
Base-Base interactions energy: -42.154
where: short stacking energy: -42.154
Base-Backbone interact. energy: -0.052
local terms energy: -61.273317
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -12.692
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: 8, replica: 6
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -91.051678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.051678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.051678 (E_RNA)
where:
Base-Base interactions energy: -25.145
where: short stacking energy: -24.900
Base-Backbone interact. energy: -0.399
local terms energy: -65.507038
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -12.780
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: 9
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -86.103819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.103819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.103819 (E_RNA)
where:
Base-Base interactions energy: -29.368
where: short stacking energy: -29.368
Base-Backbone interact. energy: 4.206
local terms energy: -60.941723
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -10.053
flat angles P-C4'-P energy: -11.443
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: 10, replica: 8
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -78.595390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.595390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.595390 (E_RNA)
where:
Base-Base interactions energy: -30.454
where: short stacking energy: -24.577
Base-Backbone interact. energy: 0.694
local terms energy: -48.835265
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -12.041
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: 2.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -238.602861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.602861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.602861 (E_RNA)
where:
Base-Base interactions energy: -165.711
where: short stacking energy: -75.323
Base-Backbone interact. energy: -0.047
local terms energy: -72.845024
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -13.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -204.917374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.917374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.917374 (E_RNA)
where:
Base-Base interactions energy: -126.548
where: short stacking energy: -63.612
Base-Backbone interact. energy: 1.139
local terms energy: -79.508660
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -19.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -197.108126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.108126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.108126 (E_RNA)
where:
Base-Base interactions energy: -128.374
where: short stacking energy: -64.901
Base-Backbone interact. energy: -0.116
local terms energy: -68.618066
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -15.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -180.762917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.762917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.762917 (E_RNA)
where:
Base-Base interactions energy: -104.926
where: short stacking energy: -62.710
Base-Backbone interact. energy: -0.066
local terms energy: -75.771703
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -19.070
flat angles P-C4'-P energy: -9.699
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: 5, replica: 10
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -128.761690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.761690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.761690 (E_RNA)
where:
Base-Base interactions energy: -70.598
where: short stacking energy: -46.422
Base-Backbone interact. energy: -0.490
local terms energy: -57.674152
where:
bonds (distance) C4'-P energy: -15.699
bonds (distance) P-C4' energy: -13.351
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -2.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -195.743157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.743157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.743157 (E_RNA)
where:
Base-Base interactions energy: -125.544
where: short stacking energy: -70.855
Base-Backbone interact. energy: 0.740
local terms energy: -70.938589
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -16.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -101.271768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.271768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.271768 (E_RNA)
where:
Base-Base interactions energy: -46.968
where: short stacking energy: -34.338
Base-Backbone interact. energy: -0.315
local terms energy: -53.988966
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -7.036
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: 9
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -93.693907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.693907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.693907 (E_RNA)
where:
Base-Base interactions energy: -38.619
where: short stacking energy: -30.936
Base-Backbone interact. energy: -0.088
local terms energy: -54.986466
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -1.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -92.917526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.917526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.917526 (E_RNA)
where:
Base-Base interactions energy: -34.745
where: short stacking energy: -33.552
Base-Backbone interact. energy: -0.128
local terms energy: -58.044477
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -1.215
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: 37
Temperature: 1.350000
Total energy: -86.034927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.034927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.034927 (E_RNA)
where:
Base-Base interactions energy: -24.886
where: short stacking energy: -24.364
Base-Backbone interact. energy: -0.287
local terms energy: -60.861674
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -18.217
flat angles C4'-P-C4' energy: -7.956
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -8.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -242.893719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.893719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.893719 (E_RNA)
where:
Base-Base interactions energy: -171.247
where: short stacking energy: -63.971
Base-Backbone interact. energy: 0.455
local terms energy: -72.102650
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -12.118
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: -15.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -217.495867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.495867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.495867 (E_RNA)
where:
Base-Base interactions energy: -133.176
where: short stacking energy: -63.580
Base-Backbone interact. energy: -0.589
local terms energy: -83.730110
where:
bonds (distance) C4'-P energy: -18.406
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -20.231
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: 3, replica: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -210.049568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.049568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.049568 (E_RNA)
where:
Base-Base interactions energy: -128.306
where: short stacking energy: -65.232
Base-Backbone interact. energy: -0.016
local terms energy: -81.728209
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -17.068
flat angles C4'-P-C4' energy: -19.499
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -17.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -200.591279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.591279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.591279 (E_RNA)
where:
Base-Base interactions energy: -120.301
where: short stacking energy: -65.189
Base-Backbone interact. energy: -0.634
local terms energy: -79.655640
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -18.937
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -15.232
tors. eta vs tors. theta energy: -15.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -183.977858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.977858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.977858 (E_RNA)
where:
Base-Base interactions energy: -114.496
where: short stacking energy: -58.349
Base-Backbone interact. energy: -0.798
local terms energy: -68.683231
where:
bonds (distance) C4'-P energy: -11.584
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -14.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -157.344016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.344016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.344016 (E_RNA)
where:
Base-Base interactions energy: -83.102
where: short stacking energy: -47.673
Base-Backbone interact. energy: -0.398
local terms energy: -73.844223
where:
bonds (distance) C4'-P energy: -17.227
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -11.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -98.140856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.140856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.140856 (E_RNA)
where:
Base-Base interactions energy: -38.315
where: short stacking energy: -25.948
Base-Backbone interact. energy: -0.018
local terms energy: -59.808000
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -8.056
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: 4
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -98.960466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.960466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.960466 (E_RNA)
where:
Base-Base interactions energy: -45.359
where: short stacking energy: -35.405
Base-Backbone interact. energy: -0.878
local terms energy: -52.722874
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -5.857
tors. eta vs tors. theta energy: -2.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -86.604480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.604480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.604480 (E_RNA)
where:
Base-Base interactions energy: -32.043
where: short stacking energy: -26.564
Base-Backbone interact. energy: -0.181
local terms energy: -54.379505
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -0.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -82.504812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.504812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.504812 (E_RNA)
where:
Base-Base interactions energy: -28.546
where: short stacking energy: -28.546
Base-Backbone interact. energy: -0.145
local terms energy: -53.813940
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -11.342
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: 1, replica: 5
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -234.520607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.520607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.520607 (E_RNA)
where:
Base-Base interactions energy: -159.837
where: short stacking energy: -66.882
Base-Backbone interact. energy: 0.588
local terms energy: -75.271818
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -14.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -210.293452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.293452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.293452 (E_RNA)
where:
Base-Base interactions energy: -128.481
where: short stacking energy: -77.214
Base-Backbone interact. energy: -0.006
local terms energy: -81.806258
where:
bonds (distance) C4'-P energy: -18.440
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -18.793
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -20.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -203.157082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.157082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.157082 (E_RNA)
where:
Base-Base interactions energy: -133.608
where: short stacking energy: -66.752
Base-Backbone interact. energy: -0.774
local terms energy: -68.775937
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -15.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -182.896346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.896346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.896346 (E_RNA)
where:
Base-Base interactions energy: -121.251
where: short stacking energy: -46.983
Base-Backbone interact. energy: 0.459
local terms energy: -62.103998
where:
bonds (distance) C4'-P energy: -10.353
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -10.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -190.718838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.718838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.718838 (E_RNA)
where:
Base-Base interactions energy: -112.268
where: short stacking energy: -56.480
Base-Backbone interact. energy: -0.735
local terms energy: -77.716135
where:
bonds (distance) C4'-P energy: -16.792
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -14.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -119.580429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.580429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.580429 (E_RNA)
where:
Base-Base interactions energy: -50.473
where: short stacking energy: -42.311
Base-Backbone interact. energy: -0.473
local terms energy: -68.634564
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -11.307
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: 7, replica: 9
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -101.913072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.913072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.913072 (E_RNA)
where:
Base-Base interactions energy: -42.252
where: short stacking energy: -41.520
Base-Backbone interact. energy: -0.066
local terms energy: -59.594571
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -10.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -89.185924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.185924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.185924 (E_RNA)
where:
Base-Base interactions energy: -34.561
where: short stacking energy: -30.329
Base-Backbone interact. energy: -0.033
local terms energy: -54.592403
where:
bonds (distance) C4'-P energy: -16.808
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -8.499
flat angles P-C4'-P energy: -5.863
tors. eta vs tors. theta energy: -7.057
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: 9, replica: 4
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -89.872792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.872792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.872792 (E_RNA)
where:
Base-Base interactions energy: -31.125
where: short stacking energy: -31.125
Base-Backbone interact. energy: -0.075
local terms energy: -58.672718
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -3.908
tors. eta vs tors. theta energy: -6.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -100.554844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.554844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.554844 (E_RNA)
where:
Base-Base interactions energy: -37.958
where: short stacking energy: -37.987
Base-Backbone interact. energy: -0.157
local terms energy: -62.439842
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -6.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -242.426624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.426624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.426624 (E_RNA)
where:
Base-Base interactions energy: -160.433
where: short stacking energy: -69.805
Base-Backbone interact. energy: -0.255
local terms energy: -81.738984
where:
bonds (distance) C4'-P energy: -18.004
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -20.103
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -19.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -218.254707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.254707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.254707 (E_RNA)
where:
Base-Base interactions energy: -139.321
where: short stacking energy: -60.049
Base-Backbone interact. energy: -0.132
local terms energy: -78.801489
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -19.203
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -13.580
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: 7
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -206.679598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.679598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.679598 (E_RNA)
where:
Base-Base interactions energy: -136.071
where: short stacking energy: -55.379
Base-Backbone interact. energy: -0.528
local terms energy: -70.080243
where:
bonds (distance) C4'-P energy: -12.573
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -16.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -195.003439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.003439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.003439 (E_RNA)
where:
Base-Base interactions energy: -128.467
where: short stacking energy: -56.913
Base-Backbone interact. energy: -0.484
local terms energy: -66.052052
where:
bonds (distance) C4'-P energy: -14.870
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -13.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -171.558916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.558916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.558916 (E_RNA)
where:
Base-Base interactions energy: -107.233
where: short stacking energy: -47.489
Base-Backbone interact. energy: -0.163
local terms energy: -64.163560
where:
bonds (distance) C4'-P energy: -12.436
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -9.335
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: 10
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -100.285063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.285063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.285063 (E_RNA)
where:
Base-Base interactions energy: -47.866
where: short stacking energy: -35.023
Base-Backbone interact. energy: -0.394
local terms energy: -52.025105
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -7.358
flat angles P-C4'-P energy: -13.426
tors. eta vs tors. theta energy: -4.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -96.658608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.658608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.658608 (E_RNA)
where:
Base-Base interactions energy: -41.369
where: short stacking energy: -36.779
Base-Backbone interact. energy: -0.005
local terms energy: -55.284665
where:
bonds (distance) C4'-P energy: -6.665
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -8.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -89.067489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.067489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.067489 (E_RNA)
where:
Base-Base interactions energy: -25.591
where: short stacking energy: -25.591
Base-Backbone interact. energy: -0.389
local terms energy: -63.087351
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -18.683
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -4.694
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: 8
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -86.503409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.503409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.503409 (E_RNA)
where:
Base-Base interactions energy: -47.866
where: short stacking energy: -42.001
Base-Backbone interact. energy: -0.114
local terms energy: -38.523188
where:
bonds (distance) C4'-P energy: -8.730
bonds (distance) P-C4' energy: -8.172
flat angles C4'-P-C4' energy: -7.697
flat angles P-C4'-P energy: -4.678
tors. eta vs tors. theta energy: -9.246
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: 4
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -95.510668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.510668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.510668 (E_RNA)
where:
Base-Base interactions energy: -46.141
where: short stacking energy: -43.447
Base-Backbone interact. energy: -0.229
local terms energy: -49.140719
where:
bonds (distance) C4'-P energy: -10.540
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -1.269
tors. eta vs tors. theta energy: -5.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -239.514893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.514893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.514893 (E_RNA)
where:
Base-Base interactions energy: -160.439
where: short stacking energy: -70.230
Base-Backbone interact. energy: -0.068
local terms energy: -79.008786
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -20.134
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -10.517
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: 7
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -216.016300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.016300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.016300 (E_RNA)
where:
Base-Base interactions energy: -139.782
where: short stacking energy: -64.922
Base-Backbone interact. energy: -0.019
local terms energy: -76.215439
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -19.442
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -16.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -214.021412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.021412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.021412 (E_RNA)
where:
Base-Base interactions energy: -134.670
where: short stacking energy: -72.083
Base-Backbone interact. energy: -0.048
local terms energy: -79.304019
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -20.032
flat angles P-C4'-P energy: -12.775
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: 1
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -197.080421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.080421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.080421 (E_RNA)
where:
Base-Base interactions energy: -122.994
where: short stacking energy: -66.876
Base-Backbone interact. energy: -0.090
local terms energy: -73.995849
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -16.391
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -20.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -186.837698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.837698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.837698 (E_RNA)
where:
Base-Base interactions energy: -120.383
where: short stacking energy: -55.876
Base-Backbone interact. energy: -0.150
local terms energy: -66.303819
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -14.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -111.179327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.179327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.179327 (E_RNA)
where:
Base-Base interactions energy: -55.039
where: short stacking energy: -35.327
Base-Backbone interact. energy: 0.447
local terms energy: -56.587196
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -12.337
flat angles C4'-P-C4' energy: -9.944
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -6.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -93.190575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.190575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.190575 (E_RNA)
where:
Base-Base interactions energy: -31.139
where: short stacking energy: -29.686
Base-Backbone interact. energy: -0.145
local terms energy: -61.906553
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -9.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -95.445344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.445344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.445344 (E_RNA)
where:
Base-Base interactions energy: -34.024
where: short stacking energy: -32.948
Base-Backbone interact. energy: -0.069
local terms energy: -61.352351
where:
bonds (distance) C4'-P energy: -15.554
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -5.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -79.905159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.905159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.905159 (E_RNA)
where:
Base-Base interactions energy: -29.475
where: short stacking energy: -14.936
Base-Backbone interact. energy: -0.558
local terms energy: -49.871807
where:
bonds (distance) C4'-P energy: -10.556
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -5.603
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: 4
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -87.662327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.662327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.662327 (E_RNA)
where:
Base-Base interactions energy: -33.332
where: short stacking energy: -32.361
Base-Backbone interact. energy: -0.012
local terms energy: -54.318852
where:
bonds (distance) C4'-P energy: -8.780
bonds (distance) P-C4' energy: -18.733
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -2.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -245.735653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.735653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.735653 (E_RNA)
where:
Base-Base interactions energy: -164.573
where: short stacking energy: -75.370
Base-Backbone interact. energy: -0.468
local terms energy: -80.694348
where:
bonds (distance) C4'-P energy: -18.203
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -18.706
flat angles P-C4'-P energy: -10.748
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: 2, replica: 7
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -217.946897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.946897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.946897 (E_RNA)
where:
Base-Base interactions energy: -143.919
where: short stacking energy: -64.559
Base-Backbone interact. energy: -0.652
local terms energy: -73.376610
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -14.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -211.741081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.741081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.741081 (E_RNA)
where:
Base-Base interactions energy: -132.872
where: short stacking energy: -67.436
Base-Backbone interact. energy: -0.080
local terms energy: -78.789266
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -21.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -206.961199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.961199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.961199 (E_RNA)
where:
Base-Base interactions energy: -130.408
where: short stacking energy: -69.833
Base-Backbone interact. energy: -0.010
local terms energy: -76.543676
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -18.851
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -19.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -203.648300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.648300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.648300 (E_RNA)
where:
Base-Base interactions energy: -139.951
where: short stacking energy: -60.491
Base-Backbone interact. energy: -0.031
local terms energy: -63.666501
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -10.671
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -10.006
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: 6, replica: 10
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -104.367022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.367022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.367022 (E_RNA)
where:
Base-Base interactions energy: -41.263
where: short stacking energy: -40.554
Base-Backbone interact. energy: -0.070
local terms energy: -63.033370
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -16.475
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -5.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -105.635281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.635281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.635281 (E_RNA)
where:
Base-Base interactions energy: -41.569
where: short stacking energy: -31.366
Base-Backbone interact. energy: -0.160
local terms energy: -63.905616
where:
bonds (distance) C4'-P energy: -15.661
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -7.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -86.517488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.517488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.517488 (E_RNA)
where:
Base-Base interactions energy: -33.541
where: short stacking energy: -29.620
Base-Backbone interact. energy: -0.118
local terms energy: -52.858985
where:
bonds (distance) C4'-P energy: -13.786
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -6.392
tors. eta vs tors. theta energy: -5.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -102.757507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.757507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.757507 (E_RNA)
where:
Base-Base interactions energy: -43.217
where: short stacking energy: -42.631
Base-Backbone interact. energy: -0.110
local terms energy: -59.430198
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -3.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -84.914384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.914384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.914384 (E_RNA)
where:
Base-Base interactions energy: -30.319
where: short stacking energy: -30.319
Base-Backbone interact. energy: -0.324
local terms energy: -54.271075
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -12.023
flat angles C4'-P-C4' energy: -7.215
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -8.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -245.647894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.647894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.647894 (E_RNA)
where:
Base-Base interactions energy: -163.650
where: short stacking energy: -75.076
Base-Backbone interact. energy: -0.066
local terms energy: -81.931493
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -17.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -210.709446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.709446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.709446 (E_RNA)
where:
Base-Base interactions energy: -128.506
where: short stacking energy: -53.482
Base-Backbone interact. energy: -0.060
local terms energy: -82.143109
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -18.059
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -18.015
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: 7
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -218.928044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.928044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.928044 (E_RNA)
where:
Base-Base interactions energy: -148.947
where: short stacking energy: -71.254
Base-Backbone interact. energy: -1.628
local terms energy: -68.353448
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -18.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -194.480052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.480052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.480052 (E_RNA)
where:
Base-Base interactions energy: -115.741
where: short stacking energy: -64.269
Base-Backbone interact. energy: -0.002
local terms energy: -78.737016
where:
bonds (distance) C4'-P energy: -18.157
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -18.306
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -15.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -203.673481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.673481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.673481 (E_RNA)
where:
Base-Base interactions energy: -128.991
where: short stacking energy: -69.493
Base-Backbone interact. energy: -1.195
local terms energy: -73.487005
where:
bonds (distance) C4'-P energy: -12.146
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -18.737
flat angles P-C4'-P energy: -12.838
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: 6, replica: 6
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -112.522342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.522342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.522342 (E_RNA)
where:
Base-Base interactions energy: -61.091
where: short stacking energy: -36.350
Base-Backbone interact. energy: -0.255
local terms energy: -51.176120
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -6.526
tors. eta vs tors. theta energy: -2.836
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: 43
Temperature: 1.200000
Total energy: -106.398164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.398164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.398164 (E_RNA)
where:
Base-Base interactions energy: -46.004
where: short stacking energy: -45.893
Base-Backbone interact. energy: -0.153
local terms energy: -60.241765
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -10.592
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: 8, replica: 4
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -99.197101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.197101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.197101 (E_RNA)
where:
Base-Base interactions energy: -46.368
where: short stacking energy: -43.141
Base-Backbone interact. energy: -0.093
local terms energy: -52.735822
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -10.833
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -3.644
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: 9, replica: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -111.674433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.674433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.674433 (E_RNA)
where:
Base-Base interactions energy: -47.648
where: short stacking energy: -42.982
Base-Backbone interact. energy: -0.184
local terms energy: -63.843138
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -8.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -95.168510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.168510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.168510 (E_RNA)
where:
Base-Base interactions energy: -33.820
where: short stacking energy: -32.703
Base-Backbone interact. energy: 0.535
local terms energy: -61.883601
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -6.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -220.739660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.739660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.739660 (E_RNA)
where:
Base-Base interactions energy: -133.201
where: short stacking energy: -67.419
Base-Backbone interact. energy: 0.090
local terms energy: -87.629267
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -13.406
tors. eta vs tors. theta energy: -21.029
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: 5
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -238.383221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.383221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.383221 (E_RNA)
where:
Base-Base interactions energy: -165.920
where: short stacking energy: -75.440
Base-Backbone interact. energy: -0.502
local terms energy: -71.960704
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -8.755
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: 7
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -216.401874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.401874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.401874 (E_RNA)
where:
Base-Base interactions energy: -148.312
where: short stacking energy: -61.730
Base-Backbone interact. energy: -0.969
local terms energy: -67.121017
where:
bonds (distance) C4'-P energy: -8.801
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -19.085
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: 3
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -178.242153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.242153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.242153 (E_RNA)
where:
Base-Base interactions energy: -105.489
where: short stacking energy: -59.472
Base-Backbone interact. energy: -0.016
local terms energy: -72.737924
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -11.907
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: 5, replica: 1
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -205.627652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.627652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.627652 (E_RNA)
where:
Base-Base interactions energy: -129.899
where: short stacking energy: -67.162
Base-Backbone interact. energy: -0.422
local terms energy: -75.306923
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -16.163
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: 6
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -109.545529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.545529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.545529 (E_RNA)
where:
Base-Base interactions energy: -50.950
where: short stacking energy: -46.648
Base-Backbone interact. energy: -0.386
local terms energy: -58.209446
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -10.465
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -8.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -90.606036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.606036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.606036 (E_RNA)
where:
Base-Base interactions energy: -33.050
where: short stacking energy: -27.630
Base-Backbone interact. energy: -0.040
local terms energy: -57.516699
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -3.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -85.228666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.228666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.228666 (E_RNA)
where:
Base-Base interactions energy: -38.914
where: short stacking energy: -33.677
Base-Backbone interact. energy: 1.744
local terms energy: -48.059230
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -10.441
flat angles C4'-P-C4' energy: -9.933
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -3.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -88.205514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.205514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.205514 (E_RNA)
where:
Base-Base interactions energy: -36.823
where: short stacking energy: -37.722
Base-Backbone interact. energy: -0.664
local terms energy: -50.718476
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -6.473
flat angles C4'-P-C4' energy: -10.989
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -5.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -94.388077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.388077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.388077 (E_RNA)
where:
Base-Base interactions energy: -46.311
where: short stacking energy: -39.162
Base-Backbone interact. energy: -0.007
local terms energy: -48.069759
where:
bonds (distance) C4'-P energy: -11.057
bonds (distance) P-C4' energy: -9.937
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -8.977
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: 1, replica: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -229.580453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.580453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.580453 (E_RNA)
where:
Base-Base interactions energy: -151.206
where: short stacking energy: -77.765
Base-Backbone interact. energy: -0.129
local terms energy: -78.244822
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -19.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -231.867875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.867875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.867875 (E_RNA)
where:
Base-Base interactions energy: -157.649
where: short stacking energy: -69.936
Base-Backbone interact. energy: -0.539
local terms energy: -73.679399
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -14.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -235.692508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.692508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.692508 (E_RNA)
where:
Base-Base interactions energy: -153.093
where: short stacking energy: -65.866
Base-Backbone interact. energy: -0.631
local terms energy: -81.968539
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -22.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -181.954084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.954084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.954084 (E_RNA)
where:
Base-Base interactions energy: -101.598
where: short stacking energy: -68.911
Base-Backbone interact. energy: -0.073
local terms energy: -80.283318
where:
bonds (distance) C4'-P energy: -18.434
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -13.529
tors. eta vs tors. theta energy: -17.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -206.718636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.718636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.718636 (E_RNA)
where:
Base-Base interactions energy: -122.583
where: short stacking energy: -70.475
Base-Backbone interact. energy: -0.760
local terms energy: -83.375442
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -23.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -96.432053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.432053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.432053 (E_RNA)
where:
Base-Base interactions energy: -36.018
where: short stacking energy: -36.518
Base-Backbone interact. energy: -0.049
local terms energy: -60.364944
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -11.852
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: 7, replica: 4
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -93.949165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.949165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.949165 (E_RNA)
where:
Base-Base interactions energy: -34.978
where: short stacking energy: -29.297
Base-Backbone interact. energy: 0.166
local terms energy: -59.137213
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -3.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -94.900667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.900667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.900667 (E_RNA)
where:
Base-Base interactions energy: -30.914
where: short stacking energy: -27.163
Base-Backbone interact. energy: -0.867
local terms energy: -63.119485
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -2.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -84.753698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.753698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.753698 (E_RNA)
where:
Base-Base interactions energy: -33.588
where: short stacking energy: -33.588
Base-Backbone interact. energy: -0.230
local terms energy: -50.935357
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -11.903
flat angles C4'-P-C4' energy: -9.104
flat angles P-C4'-P energy: -12.084
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: 8
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -87.366935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.366935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.366935 (E_RNA)
where:
Base-Base interactions energy: -48.754
where: short stacking energy: -31.393
Base-Backbone interact. energy: -0.245
local terms energy: -38.368389
where:
bonds (distance) C4'-P energy: -10.014
bonds (distance) P-C4' energy: -11.613
flat angles C4'-P-C4' energy: -10.210
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: 1.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -244.809394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.809394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.809394 (E_RNA)
where:
Base-Base interactions energy: -171.127
where: short stacking energy: -75.956
Base-Backbone interact. energy: -0.200
local terms energy: -73.482509
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -17.124
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -16.208
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: 2, replica: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -219.582743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.582743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.582743 (E_RNA)
where:
Base-Base interactions energy: -143.536
where: short stacking energy: -61.503
Base-Backbone interact. energy: -0.139
local terms energy: -75.907181
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -21.029
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: 7
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -204.320115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.320115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.320115 (E_RNA)
where:
Base-Base interactions energy: -128.716
where: short stacking energy: -65.442
Base-Backbone interact. energy: -0.119
local terms energy: -75.485198
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -18.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -187.445484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.445484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.445484 (E_RNA)
where:
Base-Base interactions energy: -112.011
where: short stacking energy: -63.493
Base-Backbone interact. energy: -0.103
local terms energy: -75.331400
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -18.917
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -14.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -209.927566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.927566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.927566 (E_RNA)
where:
Base-Base interactions energy: -134.213
where: short stacking energy: -57.904
Base-Backbone interact. energy: -0.012
local terms energy: -75.701910
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -17.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -97.970030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.970030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.970030 (E_RNA)
where:
Base-Base interactions energy: -44.432
where: short stacking energy: -38.854
Base-Backbone interact. energy: -0.173
local terms energy: -53.364784
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -5.623
flat angles P-C4'-P energy: -5.035
tors. eta vs tors. theta energy: -11.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -106.230817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.230817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.230817 (E_RNA)
where:
Base-Base interactions energy: -49.035
where: short stacking energy: -46.585
Base-Backbone interact. energy: -0.119
local terms energy: -57.077294
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -4.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -103.783501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.783501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.783501 (E_RNA)
where:
Base-Base interactions energy: -49.473
where: short stacking energy: -43.788
Base-Backbone interact. energy: -0.228
local terms energy: -54.081961
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -5.752
tors. eta vs tors. theta energy: -9.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -101.338554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.338554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.338554 (E_RNA)
where:
Base-Base interactions energy: -41.126
where: short stacking energy: -39.637
Base-Backbone interact. energy: -0.192
local terms energy: -60.020414
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -9.967
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -8.910
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: 10, replica: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -100.580055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.580055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.580055 (E_RNA)
where:
Base-Base interactions energy: -48.752
where: short stacking energy: -34.676
Base-Backbone interact. energy: -0.211
local terms energy: -51.617340
where:
bonds (distance) C4'-P energy: -9.098
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -4.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -246.574020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.574020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.574020 (E_RNA)
where:
Base-Base interactions energy: -166.395
where: short stacking energy: -72.721
Base-Backbone interact. energy: -0.828
local terms energy: -79.351764
where:
bonds (distance) C4'-P energy: -16.646
bonds (distance) P-C4' energy: -18.470
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -11.905
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: 2, replica: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -223.204186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.204186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.204186 (E_RNA)
where:
Base-Base interactions energy: -157.414
where: short stacking energy: -61.539
Base-Backbone interact. energy: 0.421
local terms energy: -66.211699
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -15.633
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -16.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -200.200336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.200336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.200336 (E_RNA)
where:
Base-Base interactions energy: -119.461
where: short stacking energy: -57.929
Base-Backbone interact. energy: -0.232
local terms energy: -80.507622
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -15.399
tors. eta vs tors. theta energy: -15.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -198.730548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.730548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.730548 (E_RNA)
where:
Base-Base interactions energy: -119.588
where: short stacking energy: -58.761
Base-Backbone interact. energy: -0.327
local terms energy: -78.815543
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -18.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -204.902825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.902825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.902825 (E_RNA)
where:
Base-Base interactions energy: -133.483
where: short stacking energy: -65.542
Base-Backbone interact. energy: -0.061
local terms energy: -71.358966
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -11.698
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -13.134
tors. eta vs tors. theta energy: -14.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -106.195715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.195715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.195715 (E_RNA)
where:
Base-Base interactions energy: -41.141
where: short stacking energy: -37.663
Base-Backbone interact. energy: -0.090
local terms energy: -64.964606
where:
bonds (distance) C4'-P energy: -16.886
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -9.936
flat angles P-C4'-P energy: -14.629
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: 7, replica: 10
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -98.519311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.519311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.519311 (E_RNA)
where:
Base-Base interactions energy: -42.992
where: short stacking energy: -31.096
Base-Backbone interact. energy: -0.234
local terms energy: -55.293674
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -5.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -91.313724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.313724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.313724 (E_RNA)
where:
Base-Base interactions energy: -33.700
where: short stacking energy: -24.663
Base-Backbone interact. energy: -0.239
local terms energy: -57.374373
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -18.542
flat angles C4'-P-C4' energy: -9.747
flat angles P-C4'-P energy: -8.221
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: 9, replica: 4
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -87.914920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.914920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.914920 (E_RNA)
where:
Base-Base interactions energy: -29.716
where: short stacking energy: -23.760
Base-Backbone interact. energy: -0.062
local terms energy: -58.136942
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -19.286
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -5.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -105.489112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.489112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.489112 (E_RNA)
where:
Base-Base interactions energy: -38.423
where: short stacking energy: -24.163
Base-Backbone interact. energy: -0.632
local terms energy: -66.434052
where:
bonds (distance) C4'-P energy: -17.784
bonds (distance) P-C4' energy: -17.427
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -15.732
tors. eta vs tors. theta energy: -2.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -212.823848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.823848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.823848 (E_RNA)
where:
Base-Base interactions energy: -132.173
where: short stacking energy: -67.676
Base-Backbone interact. energy: -0.756
local terms energy: -79.895338
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -17.275
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -10.955
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: 5
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -243.323029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.323029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.323029 (E_RNA)
where:
Base-Base interactions energy: -174.813
where: short stacking energy: -65.138
Base-Backbone interact. energy: 1.156
local terms energy: -69.665604
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -13.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -201.427242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.427242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.427242 (E_RNA)
where:
Base-Base interactions energy: -121.982
where: short stacking energy: -60.424
Base-Backbone interact. energy: -0.215
local terms energy: -79.230601
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: -13.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -185.789345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.789345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.789345 (E_RNA)
where:
Base-Base interactions energy: -113.545
where: short stacking energy: -38.792
Base-Backbone interact. energy: -1.064
local terms energy: -71.180860
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -8.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -197.914094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.914094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.914094 (E_RNA)
where:
Base-Base interactions energy: -126.029
where: short stacking energy: -60.155
Base-Backbone interact. energy: -0.037
local terms energy: -71.848467
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -20.463
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -10.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -107.906330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.906330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.906330 (E_RNA)
where:
Base-Base interactions energy: -41.984
where: short stacking energy: -41.984
Base-Backbone interact. energy: -0.020
local terms energy: -65.902242
where:
bonds (distance) C4'-P energy: -17.643
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -7.968
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: 7, replica: 9
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -104.515173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.515173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.515173 (E_RNA)
where:
Base-Base interactions energy: -51.142
where: short stacking energy: -33.294
Base-Backbone interact. energy: -0.279
local terms energy: -53.094350
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -19.460
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -1.700
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: 8, replica: 10
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -102.967072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.967072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.967072 (E_RNA)
where:
Base-Base interactions energy: -44.410
where: short stacking energy: -36.676
Base-Backbone interact. energy: -0.323
local terms energy: -58.234811
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -19.236
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -3.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -83.217483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.217483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.217483 (E_RNA)
where:
Base-Base interactions energy: -44.558
where: short stacking energy: -26.565
Base-Backbone interact. energy: -0.395
local terms energy: -38.264283
where:
bonds (distance) C4'-P energy: -7.228
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -8.517
flat angles P-C4'-P energy: -6.032
tors. eta vs tors. theta energy: 1.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -97.335871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.335871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.335871 (E_RNA)
where:
Base-Base interactions energy: -47.986
where: short stacking energy: -33.524
Base-Backbone interact. energy: -0.459
local terms energy: -48.891209
where:
bonds (distance) C4'-P energy: -8.979
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -10.413
flat angles P-C4'-P energy: -10.191
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: 1, replica: 2
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -205.422095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.422095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.422095 (E_RNA)
where:
Base-Base interactions energy: -121.754
where: short stacking energy: -67.792
Base-Backbone interact. energy: -1.432
local terms energy: -82.235853
where:
bonds (distance) C4'-P energy: -18.183
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -18.977
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: 5
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -239.764482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.764482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.764482 (E_RNA)
where:
Base-Base interactions energy: -169.919
where: short stacking energy: -75.980
Base-Backbone interact. energy: -0.891
local terms energy: -68.954814
where:
bonds (distance) C4'-P energy: -8.872
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -15.746
tors. eta vs tors. theta energy: -14.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -206.405625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.405625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.405625 (E_RNA)
where:
Base-Base interactions energy: -126.734
where: short stacking energy: -73.772
Base-Backbone interact. energy: -0.020
local terms energy: -79.651846
where:
bonds (distance) C4'-P energy: -18.069
bonds (distance) P-C4' energy: -16.444
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -20.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -211.384243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.384243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.384243 (E_RNA)
where:
Base-Base interactions energy: -136.063
where: short stacking energy: -64.493
Base-Backbone interact. energy: -0.124
local terms energy: -75.196525
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -12.945
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: 5, replica: 7
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -203.698221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.698221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.698221 (E_RNA)
where:
Base-Base interactions energy: -120.838
where: short stacking energy: -68.840
Base-Backbone interact. energy: -0.079
local terms energy: -82.781131
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -14.854
tors. eta vs tors. theta energy: -22.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -104.643718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.643718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.643718 (E_RNA)
where:
Base-Base interactions energy: -40.625
where: short stacking energy: -34.735
Base-Backbone interact. energy: -0.455
local terms energy: -63.563059
where:
bonds (distance) C4'-P energy: -19.280
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -5.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -111.189384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.189384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.189384 (E_RNA)
where:
Base-Base interactions energy: -44.620
where: short stacking energy: -36.252
Base-Backbone interact. energy: -0.023
local terms energy: -66.546421
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -16.570
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -10.337
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: 8, replica: 8
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -98.058602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.058602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.058602 (E_RNA)
where:
Base-Base interactions energy: -38.652
where: short stacking energy: -29.763
Base-Backbone interact. energy: -0.092
local terms energy: -59.314336
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -12.139
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -4.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -92.218604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.218604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.218604 (E_RNA)
where:
Base-Base interactions energy: -40.904
where: short stacking energy: -32.043
Base-Backbone interact. energy: -0.306
local terms energy: -51.008702
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -8.749
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -4.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -86.311101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.311101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.311101 (E_RNA)
where:
Base-Base interactions energy: -39.666
where: short stacking energy: -30.414
Base-Backbone interact. energy: -0.081
local terms energy: -46.563843
where:
bonds (distance) C4'-P energy: -9.351
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -5.066
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: 5
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -241.127932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.127932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.127932 (E_RNA)
where:
Base-Base interactions energy: -166.448
where: short stacking energy: -66.782
Base-Backbone interact. energy: 0.593
local terms energy: -75.272981
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -14.101
tors. eta vs tors. theta energy: -12.146
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: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -225.584566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.584566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.584566 (E_RNA)
where:
Base-Base interactions energy: -154.277
where: short stacking energy: -62.873
Base-Backbone interact. energy: -0.210
local terms energy: -71.097467
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -16.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -224.279815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.279815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.279815 (E_RNA)
where:
Base-Base interactions energy: -139.960
where: short stacking energy: -69.574
Base-Backbone interact. energy: -0.519
local terms energy: -83.801129
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -13.783
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: 3
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -203.272156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.272156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.272156 (E_RNA)
where:
Base-Base interactions energy: -132.258
where: short stacking energy: -58.324
Base-Backbone interact. energy: 0.162
local terms energy: -71.176380
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -17.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -200.931245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.931245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.931245 (E_RNA)
where:
Base-Base interactions energy: -127.940
where: short stacking energy: -59.182
Base-Backbone interact. energy: -0.127
local terms energy: -72.864347
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -12.528
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: 6, replica: 6
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -105.194534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.194534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.194534 (E_RNA)
where:
Base-Base interactions energy: -47.517
where: short stacking energy: -42.722
Base-Backbone interact. energy: -0.128
local terms energy: -57.549896
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -3.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -116.759616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.759616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.759616 (E_RNA)
where:
Base-Base interactions energy: -56.232
where: short stacking energy: -44.957
Base-Backbone interact. energy: -0.091
local terms energy: -60.437298
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -10.240
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -10.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -89.302839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.302839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.302839 (E_RNA)
where:
Base-Base interactions energy: -34.888
where: short stacking energy: -25.148
Base-Backbone interact. energy: -0.706
local terms energy: -53.708551
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -5.338
tors. eta vs tors. theta energy: -1.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -95.260769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.260769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.260769 (E_RNA)
where:
Base-Base interactions energy: -38.101
where: short stacking energy: -29.681
Base-Backbone interact. energy: -0.297
local terms energy: -56.862033
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -10.490
flat angles P-C4'-P energy: -13.788
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: 10
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -78.929660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.929660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.929660 (E_RNA)
where:
Base-Base interactions energy: -33.802
where: short stacking energy: -27.958
Base-Backbone interact. energy: -0.237
local terms energy: -44.890476
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -10.033
flat angles P-C4'-P energy: 0.801
tors. eta vs tors. theta energy: -1.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -244.429594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.429594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.429594 (E_RNA)
where:
Base-Base interactions energy: -164.930
where: short stacking energy: -74.286
Base-Backbone interact. energy: -1.068
local terms energy: -78.431755
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -16.112
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -17.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -225.838860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.838860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.838860 (E_RNA)
where:
Base-Base interactions energy: -151.418
where: short stacking energy: -54.961
Base-Backbone interact. energy: -0.238
local terms energy: -74.183251
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -18.080
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: 1
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -220.106263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.106263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.106263 (E_RNA)
where:
Base-Base interactions energy: -140.757
where: short stacking energy: -72.394
Base-Backbone interact. energy: -0.225
local terms energy: -79.124464
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -17.881
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -20.083
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: 7
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -216.686812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.686812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.686812 (E_RNA)
where:
Base-Base interactions energy: -145.133
where: short stacking energy: -83.618
Base-Backbone interact. energy: -0.000
local terms energy: -71.553434
where:
bonds (distance) C4'-P energy: -8.979
bonds (distance) P-C4' energy: -16.345
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -24.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -180.517385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.517385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.517385 (E_RNA)
where:
Base-Base interactions energy: -114.841
where: short stacking energy: -63.923
Base-Backbone interact. energy: -0.103
local terms energy: -65.573797
where:
bonds (distance) C4'-P energy: -6.107
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -18.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -107.631967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.631967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.631967 (E_RNA)
where:
Base-Base interactions energy: -45.902
where: short stacking energy: -27.309
Base-Backbone interact. energy: -0.139
local terms energy: -61.591055
where:
bonds (distance) C4'-P energy: -10.630
bonds (distance) P-C4' energy: -19.944
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -2.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -100.413142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.413142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.413142 (E_RNA)
where:
Base-Base interactions energy: -45.833
where: short stacking energy: -35.057
Base-Backbone interact. energy: -0.404
local terms energy: -54.176455
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -4.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -95.341500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.341500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.341500 (E_RNA)
where:
Base-Base interactions energy: -42.054
where: short stacking energy: -41.673
Base-Backbone interact. energy: -0.611
local terms energy: -52.676184
where:
bonds (distance) C4'-P energy: -11.339
bonds (distance) P-C4' energy: -9.944
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -6.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -95.369024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.369024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.369024 (E_RNA)
where:
Base-Base interactions energy: -42.779
where: short stacking energy: -27.919
Base-Backbone interact. energy: -0.787
local terms energy: -51.803403
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -9.858
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: 10, replica: 10
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -81.180381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.180381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.180381 (E_RNA)
where:
Base-Base interactions energy: -29.118
where: short stacking energy: -21.107
Base-Backbone interact. energy: -0.267
local terms energy: -51.795343
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -16.063
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -4.368
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: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -238.876933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.876933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.876933 (E_RNA)
where:
Base-Base interactions energy: -157.758
where: short stacking energy: -76.717
Base-Backbone interact. energy: -0.224
local terms energy: -80.895684
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -21.815
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: 2, replica: 5
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -245.215295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.215295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.215295 (E_RNA)
where:
Base-Base interactions energy: -168.751
where: short stacking energy: -71.011
Base-Backbone interact. energy: -0.339
local terms energy: -76.125314
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -13.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -214.821788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.821788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.821788 (E_RNA)
where:
Base-Base interactions energy: -138.929
where: short stacking energy: -62.028
Base-Backbone interact. energy: -0.594
local terms energy: -75.299062
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -16.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -211.111514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.111514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.111514 (E_RNA)
where:
Base-Base interactions energy: -137.108
where: short stacking energy: -60.191
Base-Backbone interact. energy: -0.015
local terms energy: -73.988861
where:
bonds (distance) C4'-P energy: -10.531
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -17.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -169.489739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.489739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.489739 (E_RNA)
where:
Base-Base interactions energy: -95.579
where: short stacking energy: -39.744
Base-Backbone interact. energy: -0.085
local terms energy: -73.826432
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -14.052
tors. eta vs tors. theta energy: -12.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -108.411680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.411680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.411680 (E_RNA)
where:
Base-Base interactions energy: -53.893
where: short stacking energy: -29.908
Base-Backbone interact. energy: -0.099
local terms energy: -54.419533
where:
bonds (distance) C4'-P energy: -11.207
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -10.828
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -4.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -97.021644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.021644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.021644 (E_RNA)
where:
Base-Base interactions energy: -37.513
where: short stacking energy: -35.743
Base-Backbone interact. energy: -0.019
local terms energy: -59.489582
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -9.662
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -9.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -90.267607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.267607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.267607 (E_RNA)
where:
Base-Base interactions energy: -34.026
where: short stacking energy: -34.026
Base-Backbone interact. energy: -0.157
local terms energy: -56.085151
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -8.236
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: 9, replica: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -90.776286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.776286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.776286 (E_RNA)
where:
Base-Base interactions energy: -36.594
where: short stacking energy: -36.594
Base-Backbone interact. energy: -0.154
local terms energy: -54.027887
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -4.627
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: 10, replica: 4
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -73.119825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.119825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.119825 (E_RNA)
where:
Base-Base interactions energy: -28.635
where: short stacking energy: -19.738
Base-Backbone interact. energy: -0.112
local terms energy: -44.372698
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -11.135
flat angles P-C4'-P energy: -8.838
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: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -230.792070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.792070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.792070 (E_RNA)
where:
Base-Base interactions energy: -151.733
where: short stacking energy: -73.975
Base-Backbone interact. energy: -0.454
local terms energy: -78.605386
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -13.935
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -18.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -234.050472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.050472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.050472 (E_RNA)
where:
Base-Base interactions energy: -156.824
where: short stacking energy: -61.845
Base-Backbone interact. energy: -1.410
local terms energy: -75.816192
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -14.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -214.101684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.101684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.101684 (E_RNA)
where:
Base-Base interactions energy: -143.720
where: short stacking energy: -62.608
Base-Backbone interact. energy: -0.358
local terms energy: -70.023607
where:
bonds (distance) C4'-P energy: -9.467
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -12.439
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: 7
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -205.870548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.870548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.870548 (E_RNA)
where:
Base-Base interactions energy: -125.961
where: short stacking energy: -62.859
Base-Backbone interact. energy: -0.432
local terms energy: -79.476882
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -18.976
flat angles C4'-P-C4' energy: -18.231
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -20.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -189.602907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.602907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.602907 (E_RNA)
where:
Base-Base interactions energy: -110.823
where: short stacking energy: -63.085
Base-Backbone interact. energy: -0.085
local terms energy: -78.694990
where:
bonds (distance) C4'-P energy: -19.234
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -19.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -116.693900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.693900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.693900 (E_RNA)
where:
Base-Base interactions energy: -55.361
where: short stacking energy: -44.645
Base-Backbone interact. energy: -0.175
local terms energy: -61.157929
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -9.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -99.687068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.687068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.687068 (E_RNA)
where:
Base-Base interactions energy: -41.796
where: short stacking energy: -36.334
Base-Backbone interact. energy: -0.027
local terms energy: -57.864292
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -7.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -101.955480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.955480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.955480 (E_RNA)
where:
Base-Base interactions energy: -44.731
where: short stacking energy: -39.009
Base-Backbone interact. energy: 0.336
local terms energy: -57.560990
where:
bonds (distance) C4'-P energy: -10.216
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -9.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -82.542540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.542540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.542540 (E_RNA)
where:
Base-Base interactions energy: -35.406
where: short stacking energy: -23.488
Base-Backbone interact. energy: -0.233
local terms energy: -46.903595
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: 0.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -79.943328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.943328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.943328 (E_RNA)
where:
Base-Base interactions energy: -28.709
where: short stacking energy: -28.709
Base-Backbone interact. energy: -0.329
local terms energy: -50.904880
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -7.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -248.829355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.829355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.829355 (E_RNA)
where:
Base-Base interactions energy: -178.046
where: short stacking energy: -64.134
Base-Backbone interact. energy: -1.131
local terms energy: -69.651720
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -13.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -229.291510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.291510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.291510 (E_RNA)
where:
Base-Base interactions energy: -152.706
where: short stacking energy: -64.329
Base-Backbone interact. energy: 0.033
local terms energy: -76.618879
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -20.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -229.201689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.201689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.201689 (E_RNA)
where:
Base-Base interactions energy: -149.943
where: short stacking energy: -69.384
Base-Backbone interact. energy: -0.364
local terms energy: -78.894604
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -18.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -187.015584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.015584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.015584 (E_RNA)
where:
Base-Base interactions energy: -115.496
where: short stacking energy: -51.719
Base-Backbone interact. energy: 0.467
local terms energy: -71.986201
where:
bonds (distance) C4'-P energy: -11.935
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -10.343
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: 3
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -181.360663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.360663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.360663 (E_RNA)
where:
Base-Base interactions energy: -112.062
where: short stacking energy: -49.549
Base-Backbone interact. energy: -1.260
local terms energy: -68.038700
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -13.481
flat angles C4'-P-C4' energy: -11.581
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -14.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -121.053370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.053370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.053370 (E_RNA)
where:
Base-Base interactions energy: -57.936
where: short stacking energy: -48.185
Base-Backbone interact. energy: -0.815
local terms energy: -62.302163
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -15.897
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -11.275
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: 6
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -149.026095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.026095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.026095 (E_RNA)
where:
Base-Base interactions energy: -86.348
where: short stacking energy: -51.337
Base-Backbone interact. energy: 0.694
local terms energy: -63.372282
where:
bonds (distance) C4'-P energy: -17.242
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -10.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -91.738404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.738404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.738404 (E_RNA)
where:
Base-Base interactions energy: -29.821
where: short stacking energy: -29.701
Base-Backbone interact. energy: -0.208
local terms energy: -61.709958
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -18.560
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -2.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -82.082215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.082215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.082215 (E_RNA)
where:
Base-Base interactions energy: -32.868
where: short stacking energy: -32.868
Base-Backbone interact. energy: -0.242
local terms energy: -48.972176
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -5.006
tors. eta vs tors. theta energy: -6.304
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: 54
Temperature: 1.350000
Total energy: -94.805573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.805573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.805573 (E_RNA)
where:
Base-Base interactions energy: -44.556
where: short stacking energy: -41.656
Base-Backbone interact. energy: 3.332
local terms energy: -53.582174
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -6.793
tors. eta vs tors. theta energy: -5.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -257.099813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.099813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.099813 (E_RNA)
where:
Base-Base interactions energy: -190.400
where: short stacking energy: -75.237
Base-Backbone interact. energy: -2.247
local terms energy: -64.453340
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -9.790
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: 2, replica: 1
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -238.027111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.027111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.027111 (E_RNA)
where:
Base-Base interactions energy: -160.130
where: short stacking energy: -77.279
Base-Backbone interact. energy: -0.606
local terms energy: -77.291274
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -16.323
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: -20.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -217.023898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.023898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.023898 (E_RNA)
where:
Base-Base interactions energy: -147.018
where: short stacking energy: -62.591
Base-Backbone interact. energy: 0.329
local terms energy: -70.334186
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -14.012
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -9.669
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: 4, replica: 3
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -181.650511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.650511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.650511 (E_RNA)
where:
Base-Base interactions energy: -111.837
where: short stacking energy: -58.379
Base-Backbone interact. energy: 0.321
local terms energy: -70.134877
where:
bonds (distance) C4'-P energy: -11.935
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -17.691
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: -16.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -176.495643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.495643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.495643 (E_RNA)
where:
Base-Base interactions energy: -110.127
where: short stacking energy: -55.901
Base-Backbone interact. energy: -0.381
local terms energy: -65.987707
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -8.971
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: 6, replica: 6
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -167.616760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.616760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.616760 (E_RNA)
where:
Base-Base interactions energy: -93.211
where: short stacking energy: -45.655
Base-Backbone interact. energy: -0.043
local terms energy: -74.362686
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -13.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -93.524954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.524954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.524954 (E_RNA)
where:
Base-Base interactions energy: -40.871
where: short stacking energy: -29.637
Base-Backbone interact. energy: -0.400
local terms energy: -52.253986
where:
bonds (distance) C4'-P energy: -10.586
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: -7.208
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: 8, replica: 4
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -101.590976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.590976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.590976 (E_RNA)
where:
Base-Base interactions energy: -35.044
where: short stacking energy: -30.276
Base-Backbone interact. energy: -0.074
local terms energy: -66.473031
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -19.627
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -9.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -89.863750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.863750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.863750 (E_RNA)
where:
Base-Base interactions energy: -25.211
where: short stacking energy: -22.739
Base-Backbone interact. energy: -0.055
local terms energy: -64.597928
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -2.601
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: 10
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -84.150018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.150018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.150018 (E_RNA)
where:
Base-Base interactions energy: -34.291
where: short stacking energy: -22.861
Base-Backbone interact. energy: -0.058
local terms energy: -49.801111
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: 5.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -255.319200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.319200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.319200 (E_RNA)
where:
Base-Base interactions energy: -182.212
where: short stacking energy: -63.350
Base-Backbone interact. energy: -0.942
local terms energy: -72.165817
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -13.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -245.114111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.114111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.114111 (E_RNA)
where:
Base-Base interactions energy: -157.019
where: short stacking energy: -76.355
Base-Backbone interact. energy: -0.167
local terms energy: -87.927791
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -13.134
tors. eta vs tors. theta energy: -21.512
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: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -209.976393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.976393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.976393 (E_RNA)
where:
Base-Base interactions energy: -135.641
where: short stacking energy: -64.431
Base-Backbone interact. energy: -0.622
local terms energy: -73.713376
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -13.189
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: 3
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -181.579448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.579448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.579448 (E_RNA)
where:
Base-Base interactions energy: -107.528
where: short stacking energy: -53.517
Base-Backbone interact. energy: -0.003
local terms energy: -74.048533
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -13.797
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: 5, replica: 7
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -176.857301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.857301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.857301 (E_RNA)
where:
Base-Base interactions energy: -104.586
where: short stacking energy: -63.161
Base-Backbone interact. energy: -0.433
local terms energy: -71.838169
where:
bonds (distance) C4'-P energy: -17.073
bonds (distance) P-C4' energy: -10.374
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -10.256
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: 6, replica: 6
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -169.732526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.732526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.732526 (E_RNA)
where:
Base-Base interactions energy: -115.178
where: short stacking energy: -50.476
Base-Backbone interact. energy: 0.333
local terms energy: -54.887734
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -7.379
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: 9
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -131.410905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.410905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.410905 (E_RNA)
where:
Base-Base interactions energy: -64.571
where: short stacking energy: -45.757
Base-Backbone interact. energy: -0.111
local terms energy: -66.729454
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -7.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -115.309624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.309624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.309624 (E_RNA)
where:
Base-Base interactions energy: -53.644
where: short stacking energy: -36.637
Base-Backbone interact. energy: -0.332
local terms energy: -61.333422
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -6.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -78.635639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.635639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.635639 (E_RNA)
where:
Base-Base interactions energy: -30.977
where: short stacking energy: -28.143
Base-Backbone interact. energy: 2.996
local terms energy: -50.654546
where:
bonds (distance) C4'-P energy: -17.793
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -10.677
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: 0.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -78.013138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.013138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.013138 (E_RNA)
where:
Base-Base interactions energy: -27.664
where: short stacking energy: -25.565
Base-Backbone interact. energy: -0.919
local terms energy: -49.430283
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -0.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -253.264827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.264827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.264827 (E_RNA)
where:
Base-Base interactions energy: -184.354
where: short stacking energy: -70.745
Base-Backbone interact. energy: -1.186
local terms energy: -67.725358
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -6.121
tors. eta vs tors. theta energy: -13.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -231.058577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.058577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.058577 (E_RNA)
where:
Base-Base interactions energy: -149.593
where: short stacking energy: -74.411
Base-Backbone interact. energy: -0.055
local terms energy: -81.410357
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -16.197
tors. eta vs tors. theta energy: -21.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -213.924711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.924711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.924711 (E_RNA)
where:
Base-Base interactions energy: -137.947
where: short stacking energy: -68.553
Base-Backbone interact. energy: -0.083
local terms energy: -75.894870
where:
bonds (distance) C4'-P energy: -16.874
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -13.659
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: 3
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -181.640896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.640896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.640896 (E_RNA)
where:
Base-Base interactions energy: -112.926
where: short stacking energy: -49.087
Base-Backbone interact. energy: -0.106
local terms energy: -68.608717
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -10.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -166.961315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.961315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.961315 (E_RNA)
where:
Base-Base interactions energy: -96.394
where: short stacking energy: -51.417
Base-Backbone interact. energy: -0.302
local terms energy: -70.265474
where:
bonds (distance) C4'-P energy: -10.061
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -12.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -114.831161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.831161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.831161 (E_RNA)
where:
Base-Base interactions energy: -48.015
where: short stacking energy: -39.931
Base-Backbone interact. energy: -0.106
local terms energy: -66.709371
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -7.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -96.662759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.662759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.662759 (E_RNA)
where:
Base-Base interactions energy: -45.605
where: short stacking energy: -28.644
Base-Backbone interact. energy: -0.816
local terms energy: -50.241329
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -4.758
tors. eta vs tors. theta energy: -2.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -90.233405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.233405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.233405 (E_RNA)
where:
Base-Base interactions energy: -32.578
where: short stacking energy: -29.680
Base-Backbone interact. energy: -2.489
local terms energy: -55.166199
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -7.831
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: 9, replica: 4
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -103.089871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.089871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.089871 (E_RNA)
where:
Base-Base interactions energy: -39.503
where: short stacking energy: -29.452
Base-Backbone interact. energy: 1.827
local terms energy: -65.414183
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -18.517
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -10.004
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: 10, replica: 8
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -80.560879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.560879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.560879 (E_RNA)
where:
Base-Base interactions energy: -28.946
where: short stacking energy: -26.897
Base-Backbone interact. energy: -0.165
local terms energy: -51.449914
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -3.918
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: 5
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -250.330761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.330761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.330761 (E_RNA)
where:
Base-Base interactions energy: -178.377
where: short stacking energy: -69.015
Base-Backbone interact. energy: -0.900
local terms energy: -71.053722
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -17.546
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -14.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -217.062144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.062144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.062144 (E_RNA)
where:
Base-Base interactions energy: -139.054
where: short stacking energy: -67.709
Base-Backbone interact. energy: -0.170
local terms energy: -77.837769
where:
bonds (distance) C4'-P energy: -10.237
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -19.891
flat angles P-C4'-P energy: -14.653
tors. eta vs tors. theta energy: -15.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -222.085972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.085972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.085972 (E_RNA)
where:
Base-Base interactions energy: -144.621
where: short stacking energy: -74.799
Base-Backbone interact. energy: -0.012
local terms energy: -77.453460
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -17.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -196.152125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.152125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.152125 (E_RNA)
where:
Base-Base interactions energy: -120.644
where: short stacking energy: -66.017
Base-Backbone interact. energy: -0.621
local terms energy: -74.887151
where:
bonds (distance) C4'-P energy: -13.351
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -16.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -155.109060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.109060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.109060 (E_RNA)
where:
Base-Base interactions energy: -96.066
where: short stacking energy: -61.586
Base-Backbone interact. energy: -0.132
local terms energy: -58.911648
where:
bonds (distance) C4'-P energy: -10.015
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -6.246
tors. eta vs tors. theta energy: -12.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -115.939837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.939837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.939837 (E_RNA)
where:
Base-Base interactions energy: -46.646
where: short stacking energy: -44.880
Base-Backbone interact. energy: -0.055
local terms energy: -69.239049
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -18.965
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -8.580
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: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -98.945019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.945019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.945019 (E_RNA)
where:
Base-Base interactions energy: -46.478
where: short stacking energy: -36.570
Base-Backbone interact. energy: -0.062
local terms energy: -52.404652
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -1.867
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: 8, replica: 6
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -94.246729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.246729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.246729 (E_RNA)
where:
Base-Base interactions energy: -38.313
where: short stacking energy: -25.455
Base-Backbone interact. energy: -0.072
local terms energy: -55.862066
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -19.983
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -0.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -89.817691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.817691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.817691 (E_RNA)
where:
Base-Base interactions energy: -32.057
where: short stacking energy: -32.057
Base-Backbone interact. energy: -0.101
local terms energy: -57.660208
where:
bonds (distance) C4'-P energy: -19.485
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -9.139
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -3.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -85.528759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.528759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.528759 (E_RNA)
where:
Base-Base interactions energy: -31.445
where: short stacking energy: -31.445
Base-Backbone interact. energy: -0.231
local terms energy: -53.852284
where:
bonds (distance) C4'-P energy: -7.624
bonds (distance) P-C4' energy: -17.148
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -3.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -251.090887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.090887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.090887 (E_RNA)
where:
Base-Base interactions energy: -183.617
where: short stacking energy: -68.952
Base-Backbone interact. energy: -1.404
local terms energy: -66.070353
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -13.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -222.775065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.775065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.775065 (E_RNA)
where:
Base-Base interactions energy: -149.657
where: short stacking energy: -61.636
Base-Backbone interact. energy: 0.174
local terms energy: -73.292096
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -14.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -235.698041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.698041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.698041 (E_RNA)
where:
Base-Base interactions energy: -158.299
where: short stacking energy: -76.524
Base-Backbone interact. energy: -0.337
local terms energy: -77.062058
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -12.949
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: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -210.217897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.217897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.217897 (E_RNA)
where:
Base-Base interactions energy: -136.741
where: short stacking energy: -54.702
Base-Backbone interact. energy: -0.076
local terms energy: -73.400593
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -11.836
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -12.603
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: 5, replica: 7
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -184.714154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.714154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.714154 (E_RNA)
where:
Base-Base interactions energy: -108.056
where: short stacking energy: -62.252
Base-Backbone interact. energy: -0.018
local terms energy: -76.640381
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -16.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -109.451245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.451245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.451245 (E_RNA)
where:
Base-Base interactions energy: -53.241
where: short stacking energy: -28.345
Base-Backbone interact. energy: 0.926
local terms energy: -57.136395
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -3.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -101.579629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.579629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.579629 (E_RNA)
where:
Base-Base interactions energy: -38.994
where: short stacking energy: -38.694
Base-Backbone interact. energy: -0.174
local terms energy: -62.411421
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -3.636
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: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -97.338658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.338658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.338658 (E_RNA)
where:
Base-Base interactions energy: -40.936
where: short stacking energy: -29.276
Base-Backbone interact. energy: -0.317
local terms energy: -56.085889
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -10.059
flat angles P-C4'-P energy: -5.521
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: 9, replica: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -101.319955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.319955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.319955 (E_RNA)
where:
Base-Base interactions energy: -47.040
where: short stacking energy: -47.040
Base-Backbone interact. energy: 0.309
local terms energy: -54.588962
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -7.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -85.885486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.885486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.885486 (E_RNA)
where:
Base-Base interactions energy: -34.223
where: short stacking energy: -26.618
Base-Backbone interact. energy: 2.699
local terms energy: -54.361406
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -1.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -220.508195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.508195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.508195 (E_RNA)
where:
Base-Base interactions energy: -149.789
where: short stacking energy: -59.308
Base-Backbone interact. energy: 0.563
local terms energy: -71.282195
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -17.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -231.736161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.736161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.736161 (E_RNA)
where:
Base-Base interactions energy: -158.537
where: short stacking energy: -65.334
Base-Backbone interact. energy: -0.645
local terms energy: -72.554160
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -14.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -215.349623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.349623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.349623 (E_RNA)
where:
Base-Base interactions energy: -136.402
where: short stacking energy: -72.321
Base-Backbone interact. energy: -0.433
local terms energy: -78.514423
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -20.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -218.431863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.431863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.431863 (E_RNA)
where:
Base-Base interactions energy: -149.012
where: short stacking energy: -68.226
Base-Backbone interact. energy: -0.254
local terms energy: -69.166136
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -11.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -126.509224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.509224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.509224 (E_RNA)
where:
Base-Base interactions energy: -62.236
where: short stacking energy: -43.216
Base-Backbone interact. energy: -0.759
local terms energy: -63.513505
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -7.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -183.828592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.828592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.828592 (E_RNA)
where:
Base-Base interactions energy: -118.176
where: short stacking energy: -66.765
Base-Backbone interact. energy: -0.050
local terms energy: -65.602621
where:
bonds (distance) C4'-P energy: -10.292
bonds (distance) P-C4' energy: -7.869
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -19.795
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: 7, replica: 9
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -104.255610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.255610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.255610 (E_RNA)
where:
Base-Base interactions energy: -46.528
where: short stacking energy: -40.153
Base-Backbone interact. energy: -0.107
local terms energy: -57.620734
where:
bonds (distance) C4'-P energy: -7.123
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -11.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -90.156251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.156251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.156251 (E_RNA)
where:
Base-Base interactions energy: -34.398
where: short stacking energy: -33.450
Base-Backbone interact. energy: -0.149
local terms energy: -55.608654
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -4.880
tors. eta vs tors. theta energy: -2.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -98.019357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.019357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.019357 (E_RNA)
where:
Base-Base interactions energy: -36.584
where: short stacking energy: -32.534
Base-Backbone interact. energy: -1.328
local terms energy: -60.107808
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -7.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -88.317232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.317232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.317232 (E_RNA)
where:
Base-Base interactions energy: -36.608
where: short stacking energy: -24.541
Base-Backbone interact. energy: -0.101
local terms energy: -51.607639
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -5.065
tors. eta vs tors. theta energy: -1.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -226.137241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.137241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.137241 (E_RNA)
where:
Base-Base interactions energy: -149.214
where: short stacking energy: -62.387
Base-Backbone interact. energy: -0.395
local terms energy: -76.527829
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -18.024
flat angles C4'-P-C4' energy: -19.168
flat angles P-C4'-P energy: -11.864
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: 2, replica: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -233.213750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.213750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.213750 (E_RNA)
where:
Base-Base interactions energy: -151.509
where: short stacking energy: -65.804
Base-Backbone interact. energy: -0.324
local terms energy: -81.380487
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -19.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -213.864388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.864388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.864388 (E_RNA)
where:
Base-Base interactions energy: -145.371
where: short stacking energy: -62.378
Base-Backbone interact. energy: -0.764
local terms energy: -67.729660
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -17.479
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -11.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -234.739132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.739132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.739132 (E_RNA)
where:
Base-Base interactions energy: -152.692
where: short stacking energy: -75.128
Base-Backbone interact. energy: -0.094
local terms energy: -81.953843
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -22.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -122.528292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.528292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.528292 (E_RNA)
where:
Base-Base interactions energy: -60.410
where: short stacking energy: -56.174
Base-Backbone interact. energy: -0.015
local terms energy: -62.103842
where:
bonds (distance) C4'-P energy: -9.504
bonds (distance) P-C4' energy: -12.745
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: -11.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -172.858743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.858743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.858743 (E_RNA)
where:
Base-Base interactions energy: -106.082
where: short stacking energy: -53.710
Base-Backbone interact. energy: -0.188
local terms energy: -66.589077
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -10.976
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: 7, replica: 9
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -97.598964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.598964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.598964 (E_RNA)
where:
Base-Base interactions energy: -37.202
where: short stacking energy: -37.202
Base-Backbone interact. energy: -0.087
local terms energy: -60.309730
where:
bonds (distance) C4'-P energy: -18.381
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -5.929
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: 8, replica: 4
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -97.749960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.749960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.749960 (E_RNA)
where:
Base-Base interactions energy: -36.905
where: short stacking energy: -36.343
Base-Backbone interact. energy: -0.417
local terms energy: -60.428821
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -5.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -74.274096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.274096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.274096 (E_RNA)
where:
Base-Base interactions energy: -25.262
where: short stacking energy: -24.802
Base-Backbone interact. energy: -0.125
local terms energy: -48.887312
where:
bonds (distance) C4'-P energy: -18.368
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -9.023
flat angles P-C4'-P energy: -2.776
tors. eta vs tors. theta energy: -5.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -123.486075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.486075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.486075 (E_RNA)
where:
Base-Base interactions energy: -67.404
where: short stacking energy: -26.584
Base-Backbone interact. energy: -1.114
local terms energy: -54.968509
where:
bonds (distance) C4'-P energy: -9.741
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -3.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -233.333199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.333199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.333199 (E_RNA)
where:
Base-Base interactions energy: -154.988
where: short stacking energy: -69.609
Base-Backbone interact. energy: -0.360
local terms energy: -77.985262
where:
bonds (distance) C4'-P energy: -17.118
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -10.120
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: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -228.378841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.378841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.378841 (E_RNA)
where:
Base-Base interactions energy: -150.039
where: short stacking energy: -68.414
Base-Backbone interact. energy: 1.032
local terms energy: -79.371693
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -18.478
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: 3, replica: 1
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -238.851020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.851020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.851020 (E_RNA)
where:
Base-Base interactions energy: -152.711
where: short stacking energy: -72.902
Base-Backbone interact. energy: -0.315
local terms energy: -85.824778
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -14.963
tors. eta vs tors. theta energy: -19.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -219.646450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.646450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.646450 (E_RNA)
where:
Base-Base interactions energy: -155.895
where: short stacking energy: -57.125
Base-Backbone interact. energy: -0.979
local terms energy: -62.772694
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -9.461
flat angles P-C4'-P energy: -13.699
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: 5, replica: 7
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -178.196749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.196749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.196749 (E_RNA)
where:
Base-Base interactions energy: -114.275
where: short stacking energy: -47.840
Base-Backbone interact. energy: 0.388
local terms energy: -64.309831
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -6.678
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: 6, replica: 10
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -103.332332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.332332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.332332 (E_RNA)
where:
Base-Base interactions energy: -39.634
where: short stacking energy: -39.634
Base-Backbone interact. energy: -0.104
local terms energy: -63.595145
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -10.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -102.849792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.849792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.849792 (E_RNA)
where:
Base-Base interactions energy: -46.349
where: short stacking energy: -33.881
Base-Backbone interact. energy: -0.006
local terms energy: -56.494635
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -5.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -101.756544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.756544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.756544 (E_RNA)
where:
Base-Base interactions energy: -54.802
where: short stacking energy: -36.980
Base-Backbone interact. energy: 0.532
local terms energy: -47.485837
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -2.850
tors. eta vs tors. theta energy: -3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -85.997978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.997978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.997978 (E_RNA)
where:
Base-Base interactions energy: -30.362
where: short stacking energy: -30.362
Base-Backbone interact. energy: -0.600
local terms energy: -55.036046
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -12.615
flat angles C4'-P-C4' energy: -10.940
flat angles P-C4'-P energy: -15.216
tors. eta vs tors. theta energy: -1.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -84.711257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.711257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.711257 (E_RNA)
where:
Base-Base interactions energy: -29.604
where: short stacking energy: -25.593
Base-Backbone interact. energy: -0.021
local terms energy: -55.085805
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -4.201
tors. eta vs tors. theta energy: -5.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -219.742882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.742882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.742882 (E_RNA)
where:
Base-Base interactions energy: -138.871
where: short stacking energy: -62.385
Base-Backbone interact. energy: -0.049
local terms energy: -80.822040
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -19.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -227.831141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.831141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.831141 (E_RNA)
where:
Base-Base interactions energy: -151.505
where: short stacking energy: -78.182
Base-Backbone interact. energy: -0.127
local terms energy: -76.199345
where:
bonds (distance) C4'-P energy: -8.934
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -20.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -219.677736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.677736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.677736 (E_RNA)
where:
Base-Base interactions energy: -150.047
where: short stacking energy: -67.444
Base-Backbone interact. energy: -0.170
local terms energy: -69.460822
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -15.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -226.790183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.790183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.790183 (E_RNA)
where:
Base-Base interactions energy: -148.583
where: short stacking energy: -66.610
Base-Backbone interact. energy: -0.840
local terms energy: -77.366907
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -19.348
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -11.986
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: 5, replica: 7
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -166.671579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.671579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.671579 (E_RNA)
where:
Base-Base interactions energy: -92.706
where: short stacking energy: -40.466
Base-Backbone interact. energy: -0.616
local terms energy: -73.349414
where:
bonds (distance) C4'-P energy: -16.899
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -9.090
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: 6, replica: 4
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -100.118897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.118897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.118897 (E_RNA)
where:
Base-Base interactions energy: -49.769
where: short stacking energy: -39.781
Base-Backbone interact. energy: 1.174
local terms energy: -51.523393
where:
bonds (distance) C4'-P energy: -10.299
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -10.396
flat angles P-C4'-P energy: -9.958
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: 7, replica: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -99.537420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.537420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.537420 (E_RNA)
where:
Base-Base interactions energy: -43.460
where: short stacking energy: -43.460
Base-Backbone interact. energy: -0.085
local terms energy: -55.992844
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -4.546
tors. eta vs tors. theta energy: -8.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -101.894208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.894208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.894208 (E_RNA)
where:
Base-Base interactions energy: -45.074
where: short stacking energy: -41.780
Base-Backbone interact. energy: -0.116
local terms energy: -56.705017
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -9.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -87.004177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.004177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.004177 (E_RNA)
where:
Base-Base interactions energy: -25.839
where: short stacking energy: -22.769
Base-Backbone interact. energy: -0.156
local terms energy: -61.008662
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -4.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -103.010555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.010555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.010555 (E_RNA)
where:
Base-Base interactions energy: -37.257
where: short stacking energy: -37.257
Base-Backbone interact. energy: -0.023
local terms energy: -65.730384
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -6.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -236.587132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.587132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.587132 (E_RNA)
where:
Base-Base interactions energy: -155.976
where: short stacking energy: -76.944
Base-Backbone interact. energy: -0.013
local terms energy: -80.598126
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -17.229
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -23.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -222.322846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.322846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.322846 (E_RNA)
where:
Base-Base interactions energy: -149.963
where: short stacking energy: -73.542
Base-Backbone interact. energy: -0.025
local terms energy: -72.335154
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -18.682
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -15.291
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: 5
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -225.483534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.483534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.483534 (E_RNA)
where:
Base-Base interactions energy: -148.158
where: short stacking energy: -70.315
Base-Backbone interact. energy: 0.068
local terms energy: -77.392589
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -16.334
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: 3
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -203.011055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.011055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.011055 (E_RNA)
where:
Base-Base interactions energy: -127.318
where: short stacking energy: -68.803
Base-Backbone interact. energy: -0.070
local terms energy: -75.622331
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -19.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -178.873137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.873137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.873137 (E_RNA)
where:
Base-Base interactions energy: -107.244
where: short stacking energy: -38.364
Base-Backbone interact. energy: -1.196
local terms energy: -70.432919
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -7.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -108.978987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.978987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.978987 (E_RNA)
where:
Base-Base interactions energy: -53.665
where: short stacking energy: -42.247
Base-Backbone interact. energy: -0.020
local terms energy: -55.293848
where:
bonds (distance) C4'-P energy: -9.831
bonds (distance) P-C4' energy: -18.845
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -6.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -153.555244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.555244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.555244 (E_RNA)
where:
Base-Base interactions energy: -87.001
where: short stacking energy: -48.786
Base-Backbone interact. energy: -0.062
local terms energy: -66.492086
where:
bonds (distance) C4'-P energy: -9.620
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -13.326
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: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -89.071804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.071804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.071804 (E_RNA)
where:
Base-Base interactions energy: -32.407
where: short stacking energy: -19.943
Base-Backbone interact. energy: 1.655
local terms energy: -58.320403
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -4.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -90.764348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.764348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.764348 (E_RNA)
where:
Base-Base interactions energy: -35.705
where: short stacking energy: -33.454
Base-Backbone interact. energy: 2.464
local terms energy: -57.523001
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -11.745
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -6.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -79.456953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.456953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.456953 (E_RNA)
where:
Base-Base interactions energy: -29.952
where: short stacking energy: -29.050
Base-Backbone interact. energy: -0.081
local terms energy: -49.423797
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -7.548
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -4.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -234.490181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.490181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.490181 (E_RNA)
where:
Base-Base interactions energy: -147.798
where: short stacking energy: -68.280
Base-Backbone interact. energy: -0.060
local terms energy: -86.632316
where:
bonds (distance) C4'-P energy: -18.291
bonds (distance) P-C4' energy: -17.487
flat angles C4'-P-C4' energy: -19.122
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -22.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -230.462740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.462740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.462740 (E_RNA)
where:
Base-Base interactions energy: -159.147
where: short stacking energy: -57.716
Base-Backbone interact. energy: -0.437
local terms energy: -70.878392
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -13.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -211.332163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.332163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.332163 (E_RNA)
where:
Base-Base interactions energy: -144.897
where: short stacking energy: -62.237
Base-Backbone interact. energy: -0.176
local terms energy: -66.259037
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -5.465
tors. eta vs tors. theta energy: -14.281
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: 3
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -213.378294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.378294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.378294 (E_RNA)
where:
Base-Base interactions energy: -128.780
where: short stacking energy: -65.044
Base-Backbone interact. energy: 1.745
local terms energy: -86.343899
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -14.054
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: 5, replica: 7
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -153.227052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.227052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.227052 (E_RNA)
where:
Base-Base interactions energy: -86.547
where: short stacking energy: -44.233
Base-Backbone interact. energy: 0.808
local terms energy: -67.488097
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -18.891
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -5.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -168.220730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.220730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.220730 (E_RNA)
where:
Base-Base interactions energy: -95.619
where: short stacking energy: -51.133
Base-Backbone interact. energy: -0.419
local terms energy: -72.182999
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -13.533
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: 7, replica: 4
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -127.637743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.637743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.637743 (E_RNA)
where:
Base-Base interactions energy: -78.959
where: short stacking energy: -35.802
Base-Backbone interact. energy: 0.467
local terms energy: -49.146607
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: 2.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -127.173087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.173087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.173087 (E_RNA)
where:
Base-Base interactions energy: -70.415
where: short stacking energy: -39.751
Base-Backbone interact. energy: -0.132
local terms energy: -56.625788
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -18.470
flat angles C4'-P-C4' energy: -8.336
flat angles P-C4'-P energy: -7.254
tors. eta vs tors. theta energy: -6.306
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: 9
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -80.683966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.683966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.683966 (E_RNA)
where:
Base-Base interactions energy: -36.110
where: short stacking energy: -36.110
Base-Backbone interact. energy: -0.118
local terms energy: -44.456450
where:
bonds (distance) C4'-P energy: -7.840
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: 3.755
tors. eta vs tors. theta energy: -6.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -82.070666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.070666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.070666 (E_RNA)
where:
Base-Base interactions energy: -33.996
where: short stacking energy: -29.411
Base-Backbone interact. energy: 1.453
local terms energy: -49.527666
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -11.649
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: 0.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -238.863005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.863005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.863005 (E_RNA)
where:
Base-Base interactions energy: -168.038
where: short stacking energy: -71.278
Base-Backbone interact. energy: -0.637
local terms energy: -70.188038
where:
bonds (distance) C4'-P energy: -17.400
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -9.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -232.790780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.790780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.790780 (E_RNA)
where:
Base-Base interactions energy: -151.760
where: short stacking energy: -67.757
Base-Backbone interact. energy: -0.112
local terms energy: -80.919460
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -19.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -207.167480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.167480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.167480 (E_RNA)
where:
Base-Base interactions energy: -136.797
where: short stacking energy: -64.724
Base-Backbone interact. energy: -0.034
local terms energy: -70.336536
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -16.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -227.162025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.162025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.162025 (E_RNA)
where:
Base-Base interactions energy: -160.074
where: short stacking energy: -59.745
Base-Backbone interact. energy: 0.741
local terms energy: -67.828553
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -13.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -189.316424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.316424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.316424 (E_RNA)
where:
Base-Base interactions energy: -111.019
where: short stacking energy: -74.470
Base-Backbone interact. energy: 0.547
local terms energy: -78.844388
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -18.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -163.046564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.046564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.046564 (E_RNA)
where:
Base-Base interactions energy: -99.917
where: short stacking energy: -52.031
Base-Backbone interact. energy: -0.344
local terms energy: -62.785430
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -18.844
flat angles P-C4'-P energy: -1.104
tors. eta vs tors. theta energy: -13.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -102.127238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.127238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.127238 (E_RNA)
where:
Base-Base interactions energy: -35.801
where: short stacking energy: -33.590
Base-Backbone interact. energy: -0.108
local terms energy: -66.218185
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -6.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -138.738892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.738892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.738892 (E_RNA)
where:
Base-Base interactions energy: -76.633
where: short stacking energy: -47.471
Base-Backbone interact. energy: -0.384
local terms energy: -61.722294
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -10.466
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -14.867
tors. eta vs tors. theta energy: -7.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -101.692142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.692142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.692142 (E_RNA)
where:
Base-Base interactions energy: -44.646
where: short stacking energy: -36.304
Base-Backbone interact. energy: -0.126
local terms energy: -56.919611
where:
bonds (distance) C4'-P energy: -10.814
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -10.524
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -9.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -91.241710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.241710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.241710 (E_RNA)
where:
Base-Base interactions energy: -40.293
where: short stacking energy: -23.190
Base-Backbone interact. energy: -0.122
local terms energy: -50.826696
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -5.626
tors. eta vs tors. theta energy: -3.135
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: 1, replica: 5
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -242.551931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.551931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.551931 (E_RNA)
where:
Base-Base interactions energy: -167.082
where: short stacking energy: -59.590
Base-Backbone interact. energy: -0.334
local terms energy: -75.136227
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -13.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -215.020518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.020518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.020518 (E_RNA)
where:
Base-Base interactions energy: -151.048
where: short stacking energy: -61.608
Base-Backbone interact. energy: -0.084
local terms energy: -63.887903
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -8.969
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: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -223.944498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.944498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.944498 (E_RNA)
where:
Base-Base interactions energy: -148.527
where: short stacking energy: -70.644
Base-Backbone interact. energy: -1.236
local terms energy: -74.181541
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -14.172
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: 4, replica: 3
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -237.797744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.797744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.797744 (E_RNA)
where:
Base-Base interactions energy: -156.722
where: short stacking energy: -57.944
Base-Backbone interact. energy: -0.128
local terms energy: -80.948036
where:
bonds (distance) C4'-P energy: -17.934
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -9.484
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: 6
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -173.363821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.363821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.363821 (E_RNA)
where:
Base-Base interactions energy: -102.783
where: short stacking energy: -71.472
Base-Backbone interact. energy: -0.026
local terms energy: -70.555679
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -12.015
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -18.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -167.708883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.708883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.708883 (E_RNA)
where:
Base-Base interactions energy: -106.054
where: short stacking energy: -54.147
Base-Backbone interact. energy: -0.538
local terms energy: -61.117119
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -11.114
flat angles C4'-P-C4' energy: -10.975
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -11.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -90.723059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.723059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.723059 (E_RNA)
where:
Base-Base interactions energy: -39.168
where: short stacking energy: -39.168
Base-Backbone interact. energy: -0.264
local terms energy: -51.291176
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -11.018
flat angles P-C4'-P energy: -7.042
tors. eta vs tors. theta energy: -7.523
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: 8, replica: 4
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -181.819515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.819515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.819515 (E_RNA)
where:
Base-Base interactions energy: -111.429
where: short stacking energy: -59.152
Base-Backbone interact. energy: -0.324
local terms energy: -70.066591
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -4.617
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: 9, replica: 9
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -81.130062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.130062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.130062 (E_RNA)
where:
Base-Base interactions energy: -33.648
where: short stacking energy: -29.529
Base-Backbone interact. energy: -1.618
local terms energy: -45.864210
where:
bonds (distance) C4'-P energy: -19.891
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -9.683
flat angles P-C4'-P energy: -5.175
tors. eta vs tors. theta energy: 3.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -78.486282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.486282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.486282 (E_RNA)
where:
Base-Base interactions energy: -27.659
where: short stacking energy: -27.659
Base-Backbone interact. energy: 0.687
local terms energy: -51.514551
where:
bonds (distance) C4'-P energy: -9.866
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -4.297
tors. eta vs tors. theta energy: -3.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -238.033894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.033894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.033894 (E_RNA)
where:
Base-Base interactions energy: -168.818
where: short stacking energy: -68.056
Base-Backbone interact. energy: -1.580
local terms energy: -67.636463
where:
bonds (distance) C4'-P energy: -10.755
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -14.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -208.813409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.813409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.813409 (E_RNA)
where:
Base-Base interactions energy: -138.391
where: short stacking energy: -74.901
Base-Backbone interact. energy: -0.036
local terms energy: -70.386812
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -5.160
tors. eta vs tors. theta energy: -19.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -204.170986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.170986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.170986 (E_RNA)
where:
Base-Base interactions energy: -135.392
where: short stacking energy: -54.003
Base-Backbone interact. energy: -0.665
local terms energy: -68.113855
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -12.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -219.254180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.254180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.254180 (E_RNA)
where:
Base-Base interactions energy: -148.956
where: short stacking energy: -72.522
Base-Backbone interact. energy: -0.057
local terms energy: -70.241269
where:
bonds (distance) C4'-P energy: -10.242
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -18.326
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: 5, replica: 6
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -178.304799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.304799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.304799 (E_RNA)
where:
Base-Base interactions energy: -109.330
where: short stacking energy: -66.194
Base-Backbone interact. energy: -0.058
local terms energy: -68.916156
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -17.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -172.035145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.035145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.035145 (E_RNA)
where:
Base-Base interactions energy: -107.574
where: short stacking energy: -55.307
Base-Backbone interact. energy: -0.344
local terms energy: -64.117652
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -12.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -165.343424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.343424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.343424 (E_RNA)
where:
Base-Base interactions energy: -104.076
where: short stacking energy: -33.104
Base-Backbone interact. energy: -2.408
local terms energy: -58.859314
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -6.127
tors. eta vs tors. theta energy: -6.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -100.685986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.685986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.685986 (E_RNA)
where:
Base-Base interactions energy: -39.452
where: short stacking energy: -39.452
Base-Backbone interact. energy: -0.077
local terms energy: -61.156946
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -12.435
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -6.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -91.901820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.901820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.901820 (E_RNA)
where:
Base-Base interactions energy: -39.084
where: short stacking energy: -25.644
Base-Backbone interact. energy: -0.079
local terms energy: -52.738524
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -2.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -78.847794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.847794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.847794 (E_RNA)
where:
Base-Base interactions energy: -24.682
where: short stacking energy: -23.311
Base-Backbone interact. energy: -0.222
local terms energy: -53.944070
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: 1.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -239.614636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.614636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.614636 (E_RNA)
where:
Base-Base interactions energy: -162.014
where: short stacking energy: -67.003
Base-Backbone interact. energy: -0.667
local terms energy: -76.933641
where:
bonds (distance) C4'-P energy: -18.061
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -18.362
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -15.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -214.448692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.448692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.448692 (E_RNA)
where:
Base-Base interactions energy: -152.941
where: short stacking energy: -71.976
Base-Backbone interact. energy: -0.015
local terms energy: -61.492598
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -10.213
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -14.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -187.286266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.286266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.286266 (E_RNA)
where:
Base-Base interactions energy: -115.744
where: short stacking energy: -63.386
Base-Backbone interact. energy: -0.085
local terms energy: -71.457200
where:
bonds (distance) C4'-P energy: -12.896
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -10.506
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: 1
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -222.641326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.641326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.641326 (E_RNA)
where:
Base-Base interactions energy: -144.012
where: short stacking energy: -67.664
Base-Backbone interact. energy: -0.341
local terms energy: -78.288899
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -20.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -171.694598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.694598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.694598 (E_RNA)
where:
Base-Base interactions energy: -98.702
where: short stacking energy: -66.203
Base-Backbone interact. energy: -0.028
local terms energy: -72.964050
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -17.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -177.161658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.161658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.161658 (E_RNA)
where:
Base-Base interactions energy: -120.124
where: short stacking energy: -52.032
Base-Backbone interact. energy: -0.053
local terms energy: -56.985152
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -10.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -158.061216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.061216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.061216 (E_RNA)
where:
Base-Base interactions energy: -87.506
where: short stacking energy: -38.732
Base-Backbone interact. energy: -1.189
local terms energy: -69.365976
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -13.547
tors. eta vs tors. theta energy: -9.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -103.662736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.662736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.662736 (E_RNA)
where:
Base-Base interactions energy: -39.802
where: short stacking energy: -35.943
Base-Backbone interact. energy: 0.825
local terms energy: -64.684873
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -8.774
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: 9, replica: 8
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -87.650886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.650886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.650886 (E_RNA)
where:
Base-Base interactions energy: -31.970
where: short stacking energy: -25.732
Base-Backbone interact. energy: -0.316
local terms energy: -55.364671
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -3.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -87.958186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.958186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.958186 (E_RNA)
where:
Base-Base interactions energy: -37.948
where: short stacking energy: -26.862
Base-Backbone interact. energy: 0.664
local terms energy: -50.674296
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: 2.995
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: 5
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -245.772967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.772967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.772967 (E_RNA)
where:
Base-Base interactions energy: -167.036
where: short stacking energy: -62.257
Base-Backbone interact. energy: -0.627
local terms energy: -78.110338
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -12.950
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: 2, replica: 2
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -210.762989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.762989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.762989 (E_RNA)
where:
Base-Base interactions energy: -136.457
where: short stacking energy: -60.747
Base-Backbone interact. energy: -0.049
local terms energy: -74.256688
where:
bonds (distance) C4'-P energy: -18.169
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -11.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -223.946005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.946005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.946005 (E_RNA)
where:
Base-Base interactions energy: -150.977
where: short stacking energy: -69.627
Base-Backbone interact. energy: 0.219
local terms energy: -73.187389
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -13.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -182.343694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.343694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.343694 (E_RNA)
where:
Base-Base interactions energy: -112.405
where: short stacking energy: -44.442
Base-Backbone interact. energy: -0.119
local terms energy: -69.819934
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -12.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -179.383892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.383892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.383892 (E_RNA)
where:
Base-Base interactions energy: -115.933
where: short stacking energy: -56.564
Base-Backbone interact. energy: 0.223
local terms energy: -63.673794
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -7.549
tors. eta vs tors. theta energy: -12.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -166.637880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.637880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.637880 (E_RNA)
where:
Base-Base interactions energy: -104.086
where: short stacking energy: -52.008
Base-Backbone interact. energy: -0.119
local terms energy: -62.432295
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -5.954
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: 7, replica: 7
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -155.638061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.638061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.638061 (E_RNA)
where:
Base-Base interactions energy: -97.015
where: short stacking energy: -40.424
Base-Backbone interact. energy: -0.285
local terms energy: -58.338100
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -17.603
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -4.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -94.342936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.342936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.342936 (E_RNA)
where:
Base-Base interactions energy: -41.466
where: short stacking energy: -39.945
Base-Backbone interact. energy: 0.100
local terms energy: -52.977008
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -0.717
tors. eta vs tors. theta energy: -6.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -83.901374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.901374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.901374 (E_RNA)
where:
Base-Base interactions energy: -33.683
where: short stacking energy: -23.999
Base-Backbone interact. energy: -0.086
local terms energy: -50.133011
where:
bonds (distance) C4'-P energy: -18.676
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -10.287
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: 0.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -97.297955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.297955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.297955 (E_RNA)
where:
Base-Base interactions energy: -33.576
where: short stacking energy: -32.079
Base-Backbone interact. energy: -0.260
local terms energy: -63.462366
where:
bonds (distance) C4'-P energy: -19.722
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -5.447
tors. eta vs tors. theta energy: -5.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -247.933024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.933024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.933024 (E_RNA)
where:
Base-Base interactions energy: -172.929
where: short stacking energy: -66.554
Base-Backbone interact. energy: 0.007
local terms energy: -75.010556
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -13.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -239.171889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.171889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.171889 (E_RNA)
where:
Base-Base interactions energy: -158.133
where: short stacking energy: -78.372
Base-Backbone interact. energy: -0.079
local terms energy: -80.960093
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -15.191
tors. eta vs tors. theta energy: -18.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -220.763090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.763090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.763090 (E_RNA)
where:
Base-Base interactions energy: -136.347
where: short stacking energy: -69.661
Base-Backbone interact. energy: -0.005
local terms energy: -84.411354
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -18.860
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -22.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -193.663562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.663562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.663562 (E_RNA)
where:
Base-Base interactions energy: -124.947
where: short stacking energy: -59.416
Base-Backbone interact. energy: -0.002
local terms energy: -68.714303
where:
bonds (distance) C4'-P energy: -9.919
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -15.999
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: 5, replica: 4
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -170.032379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.032379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.032379 (E_RNA)
where:
Base-Base interactions energy: -101.000
where: short stacking energy: -52.449
Base-Backbone interact. energy: -0.094
local terms energy: -68.938368
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -18.345
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -10.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -184.928829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.928829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.928829 (E_RNA)
where:
Base-Base interactions energy: -108.844
where: short stacking energy: -54.545
Base-Backbone interact. energy: -0.182
local terms energy: -75.902872
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -12.300
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: 7, replica: 6
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -154.177059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.177059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.177059 (E_RNA)
where:
Base-Base interactions energy: -86.688
where: short stacking energy: -45.026
Base-Backbone interact. energy: -0.289
local terms energy: -67.199482
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -13.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -99.328774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.328774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.328774 (E_RNA)
where:
Base-Base interactions energy: -40.707
where: short stacking energy: -38.473
Base-Backbone interact. energy: -0.920
local terms energy: -57.702005
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -9.529
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -14.319
tors. eta vs tors. theta energy: -6.421
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: 9, replica: 9
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -83.432021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.432021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.432021 (E_RNA)
where:
Base-Base interactions energy: -29.382
where: short stacking energy: -27.613
Base-Backbone interact. energy: -0.383
local terms energy: -53.667304
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -6.331
tors. eta vs tors. theta energy: -2.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -92.596391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.596391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.596391 (E_RNA)
where:
Base-Base interactions energy: -49.120
where: short stacking energy: -33.802
Base-Backbone interact. energy: 0.360
local terms energy: -43.837083
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -8.080
flat angles P-C4'-P energy: -1.127
tors. eta vs tors. theta energy: -6.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -234.895774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.895774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.895774 (E_RNA)
where:
Base-Base interactions energy: -149.191
where: short stacking energy: -62.856
Base-Backbone interact. energy: -0.760
local terms energy: -84.944942
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -18.608
flat angles P-C4'-P energy: -14.922
tors. eta vs tors. theta energy: -20.899
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: 5
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -229.655431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.655431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.655431 (E_RNA)
where:
Base-Base interactions energy: -157.277
where: short stacking energy: -68.122
Base-Backbone interact. energy: -1.815
local terms energy: -70.562954
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -11.067
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: 3, replica: 2
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -214.149135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.149135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.149135 (E_RNA)
where:
Base-Base interactions energy: -132.447
where: short stacking energy: -75.485
Base-Backbone interact. energy: -0.424
local terms energy: -81.277520
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -23.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -195.300475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.300475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.300475 (E_RNA)
where:
Base-Base interactions energy: -123.354
where: short stacking energy: -48.835
Base-Backbone interact. energy: -0.804
local terms energy: -71.142498
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -17.303
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -13.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -175.152710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.152710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.152710 (E_RNA)
where:
Base-Base interactions energy: -112.242
where: short stacking energy: -55.905
Base-Backbone interact. energy: -0.190
local terms energy: -62.720974
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -10.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -166.245675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.245675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.245675 (E_RNA)
where:
Base-Base interactions energy: -107.422
where: short stacking energy: -51.365
Base-Backbone interact. energy: 0.398
local terms energy: -59.221939
where:
bonds (distance) C4'-P energy: -9.320
bonds (distance) P-C4' energy: -10.445
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -12.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -102.032018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.032018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.032018 (E_RNA)
where:
Base-Base interactions energy: -36.884
where: short stacking energy: -36.714
Base-Backbone interact. energy: -0.330
local terms energy: -64.818670
where:
bonds (distance) C4'-P energy: -16.208
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -7.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -155.667415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.667415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.667415 (E_RNA)
where:
Base-Base interactions energy: -87.048
where: short stacking energy: -44.721
Base-Backbone interact. energy: -0.144
local terms energy: -68.475475
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -12.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -101.704894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.704894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.704894 (E_RNA)
where:
Base-Base interactions energy: -38.475
where: short stacking energy: -34.347
Base-Backbone interact. energy: 0.262
local terms energy: -63.491349
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -7.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -83.322661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.322661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.322661 (E_RNA)
where:
Base-Base interactions energy: -38.957
where: short stacking energy: -31.374
Base-Backbone interact. energy: -0.145
local terms energy: -44.220646
where:
bonds (distance) C4'-P energy: -10.250
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: 0.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -233.128654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.128654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.128654 (E_RNA)
where:
Base-Base interactions energy: -154.498
where: short stacking energy: -64.891
Base-Backbone interact. energy: 0.206
local terms energy: -78.836682
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -19.999
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -20.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -229.499089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.499089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.499089 (E_RNA)
where:
Base-Base interactions energy: -143.625
where: short stacking energy: -76.249
Base-Backbone interact. energy: -0.695
local terms energy: -85.178512
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -20.166
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: 5
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -222.471263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.471263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.471263 (E_RNA)
where:
Base-Base interactions energy: -151.765
where: short stacking energy: -65.169
Base-Backbone interact. energy: -0.907
local terms energy: -69.799061
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -12.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -186.062856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.062856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.062856 (E_RNA)
where:
Base-Base interactions energy: -110.663
where: short stacking energy: -49.284
Base-Backbone interact. energy: -0.515
local terms energy: -74.884959
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -14.106
tors. eta vs tors. theta energy: -13.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -189.175480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.175480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.175480 (E_RNA)
where:
Base-Base interactions energy: -115.994
where: short stacking energy: -65.738
Base-Backbone interact. energy: -0.219
local terms energy: -72.962457
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -18.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -153.295706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.295706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.295706 (E_RNA)
where:
Base-Base interactions energy: -89.382
where: short stacking energy: -49.158
Base-Backbone interact. energy: -0.258
local terms energy: -63.655787
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -7.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -110.459702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.459702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.459702 (E_RNA)
where:
Base-Base interactions energy: -51.948
where: short stacking energy: -44.960
Base-Backbone interact. energy: -0.174
local terms energy: -58.337331
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -10.506
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -5.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -141.100908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.100908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.100908 (E_RNA)
where:
Base-Base interactions energy: -80.314
where: short stacking energy: -40.517
Base-Backbone interact. energy: -0.367
local terms energy: -60.420026
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -7.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -85.578813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.578813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.578813 (E_RNA)
where:
Base-Base interactions energy: -32.596
where: short stacking energy: -28.987
Base-Backbone interact. energy: 0.553
local terms energy: -53.535920
where:
bonds (distance) C4'-P energy: -7.078
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -8.279
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: -5.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -90.824102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.824102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.824102 (E_RNA)
where:
Base-Base interactions energy: -29.216
where: short stacking energy: -24.604
Base-Backbone interact. energy: -0.797
local terms energy: -60.810966
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -10.526
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -8.504
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: 74
Temperature: 0.900000
Total energy: -227.441074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.441074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.441074 (E_RNA)
where:
Base-Base interactions energy: -142.350
where: short stacking energy: -73.689
Base-Backbone interact. energy: -0.016
local terms energy: -85.075048
where:
bonds (distance) C4'-P energy: -19.689
bonds (distance) P-C4' energy: -18.972
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -12.839
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: 2, replica: 1
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -231.236239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.236239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.236239 (E_RNA)
where:
Base-Base interactions energy: -153.168
where: short stacking energy: -65.659
Base-Backbone interact. energy: -0.040
local terms energy: -78.027298
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -20.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -234.699240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.699240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.699240 (E_RNA)
where:
Base-Base interactions energy: -155.411
where: short stacking energy: -64.587
Base-Backbone interact. energy: -0.937
local terms energy: -78.350849
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -19.142
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -12.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -191.632486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.632486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.632486 (E_RNA)
where:
Base-Base interactions energy: -116.383
where: short stacking energy: -52.735
Base-Backbone interact. energy: -0.930
local terms energy: -74.319099
where:
bonds (distance) C4'-P energy: -18.240
bonds (distance) P-C4' energy: -16.345
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -9.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -172.186023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.186023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.186023 (E_RNA)
where:
Base-Base interactions energy: -101.010
where: short stacking energy: -53.830
Base-Backbone interact. energy: -0.325
local terms energy: -70.851452
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -5.996
tors. eta vs tors. theta energy: -14.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -171.555259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.555259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.555259 (E_RNA)
where:
Base-Base interactions energy: -111.784
where: short stacking energy: -47.226
Base-Backbone interact. energy: -0.248
local terms energy: -59.523681
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -3.391
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: 7, replica: 6
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -166.239000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.239000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.239000 (E_RNA)
where:
Base-Base interactions energy: -100.329
where: short stacking energy: -43.318
Base-Backbone interact. energy: -0.202
local terms energy: -65.707183
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -8.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -102.562538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.562538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.562538 (E_RNA)
where:
Base-Base interactions energy: -35.913
where: short stacking energy: -35.414
Base-Backbone interact. energy: -0.152
local terms energy: -66.498141
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -6.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -96.314815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.314815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.314815 (E_RNA)
where:
Base-Base interactions energy: -39.883
where: short stacking energy: -29.780
Base-Backbone interact. energy: 0.750
local terms energy: -57.181101
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: 0.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -84.977901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.977901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.977901 (E_RNA)
where:
Base-Base interactions energy: -41.049
where: short stacking energy: -27.272
Base-Backbone interact. energy: -0.221
local terms energy: -43.708316
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -6.111
tors. eta vs tors. theta energy: 5.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -225.272555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.272555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.272555 (E_RNA)
where:
Base-Base interactions energy: -140.698
where: short stacking energy: -68.177
Base-Backbone interact. energy: -0.120
local terms energy: -84.455284
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -19.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -233.234322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.234322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.234322 (E_RNA)
where:
Base-Base interactions energy: -152.298
where: short stacking energy: -73.075
Base-Backbone interact. energy: 0.952
local terms energy: -81.888290
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -16.195
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -20.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -234.638889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.638889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.638889 (E_RNA)
where:
Base-Base interactions energy: -166.243
where: short stacking energy: -59.526
Base-Backbone interact. energy: -0.806
local terms energy: -67.589452
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -17.102
flat angles P-C4'-P energy: -10.456
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: 4, replica: 4
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -191.472952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.472952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.472952 (E_RNA)
where:
Base-Base interactions energy: -125.118
where: short stacking energy: -63.593
Base-Backbone interact. energy: -0.181
local terms energy: -66.174372
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -9.229
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -14.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -192.505700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.505700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.505700 (E_RNA)
where:
Base-Base interactions energy: -130.177
where: short stacking energy: -56.437
Base-Backbone interact. energy: 2.519
local terms energy: -64.847748
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -11.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -176.270251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.270251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.270251 (E_RNA)
where:
Base-Base interactions energy: -116.016
where: short stacking energy: -35.380
Base-Backbone interact. energy: 0.032
local terms energy: -60.286175
where:
bonds (distance) C4'-P energy: -15.748
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -8.501
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: 6
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -148.175945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.175945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.175945 (E_RNA)
where:
Base-Base interactions energy: -78.697
where: short stacking energy: -39.254
Base-Backbone interact. energy: -0.348
local terms energy: -69.130160
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -9.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -99.757526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.757526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.757526 (E_RNA)
where:
Base-Base interactions energy: -42.200
where: short stacking energy: -34.169
Base-Backbone interact. energy: -1.142
local terms energy: -56.414739
where:
bonds (distance) C4'-P energy: -17.018
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -6.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -86.623179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.623179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.623179 (E_RNA)
where:
Base-Base interactions energy: -41.910
where: short stacking energy: -39.890
Base-Backbone interact. energy: -0.095
local terms energy: -44.618026
where:
bonds (distance) C4'-P energy: -3.857
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -6.217
tors. eta vs tors. theta energy: -4.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -89.593274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.593274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.593274 (E_RNA)
where:
Base-Base interactions energy: -35.517
where: short stacking energy: -33.548
Base-Backbone interact. energy: 0.270
local terms energy: -54.346458
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -5.060
tors. eta vs tors. theta energy: -5.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -223.894121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.894121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.894121 (E_RNA)
where:
Base-Base interactions energy: -144.527
where: short stacking energy: -65.595
Base-Backbone interact. energy: -0.013
local terms energy: -79.354698
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -19.876
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -20.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -225.813433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.813433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.813433 (E_RNA)
where:
Base-Base interactions energy: -151.372
where: short stacking energy: -66.010
Base-Backbone interact. energy: -0.539
local terms energy: -73.902775
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -15.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -207.138317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.138317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.138317 (E_RNA)
where:
Base-Base interactions energy: -130.098
where: short stacking energy: -65.217
Base-Backbone interact. energy: -0.007
local terms energy: -77.033113
where:
bonds (distance) C4'-P energy: -17.981
bonds (distance) P-C4' energy: -10.343
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -14.557
tors. eta vs tors. theta energy: -16.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -232.902791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.902791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.902791 (E_RNA)
where:
Base-Base interactions energy: -155.124
where: short stacking energy: -65.193
Base-Backbone interact. energy: -0.252
local terms energy: -77.526765
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -16.669
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -17.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -193.526626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.526626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.526626 (E_RNA)
where:
Base-Base interactions energy: -127.853
where: short stacking energy: -51.639
Base-Backbone interact. energy: -0.305
local terms energy: -65.368374
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -10.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -184.992636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.992636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.992636 (E_RNA)
where:
Base-Base interactions energy: -116.850
where: short stacking energy: -49.500
Base-Backbone interact. energy: -0.070
local terms energy: -68.072257
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -11.200
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -144.573392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.573392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.573392 (E_RNA)
where:
Base-Base interactions energy: -88.592
where: short stacking energy: -40.749
Base-Backbone interact. energy: -0.371
local terms energy: -55.610474
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -10.801
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -6.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -100.946676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.946676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.946676 (E_RNA)
where:
Base-Base interactions energy: -38.655
where: short stacking energy: -29.070
Base-Backbone interact. energy: -1.177
local terms energy: -61.114038
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -6.229
tors. eta vs tors. theta energy: -4.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -86.502798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.502798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.502798 (E_RNA)
where:
Base-Base interactions energy: -33.823
where: short stacking energy: -28.354
Base-Backbone interact. energy: -0.357
local terms energy: -52.322898
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -6.267
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: 10
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -83.202180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.202180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.202180 (E_RNA)
where:
Base-Base interactions energy: -31.849
where: short stacking energy: -17.309
Base-Backbone interact. energy: 1.849
local terms energy: -53.201475
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: 5.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -221.922368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.922368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.922368 (E_RNA)
where:
Base-Base interactions energy: -141.081
where: short stacking energy: -65.062
Base-Backbone interact. energy: -0.033
local terms energy: -80.808117
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -19.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -222.209699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.209699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.209699 (E_RNA)
where:
Base-Base interactions energy: -144.560
where: short stacking energy: -76.957
Base-Backbone interact. energy: -0.077
local terms energy: -77.572896
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -21.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -228.025105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.025105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.025105 (E_RNA)
where:
Base-Base interactions energy: -156.950
where: short stacking energy: -73.081
Base-Backbone interact. energy: -0.047
local terms energy: -71.028360
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: -19.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -228.361066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.361066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.361066 (E_RNA)
where:
Base-Base interactions energy: -159.857
where: short stacking energy: -69.113
Base-Backbone interact. energy: 0.029
local terms energy: -68.533019
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -10.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -207.924029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.924029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.924029 (E_RNA)
where:
Base-Base interactions energy: -132.355
where: short stacking energy: -57.924
Base-Backbone interact. energy: -1.282
local terms energy: -74.286881
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -11.007
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: 6, replica: 7
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -166.936052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.936052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.936052 (E_RNA)
where:
Base-Base interactions energy: -104.740
where: short stacking energy: -36.395
Base-Backbone interact. energy: -0.261
local terms energy: -61.934890
where:
bonds (distance) C4'-P energy: -18.638
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -10.013
flat angles P-C4'-P energy: -9.147
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: 7, replica: 6
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -146.933324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.933324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.933324 (E_RNA)
where:
Base-Base interactions energy: -80.682
where: short stacking energy: -43.911
Base-Backbone interact. energy: -0.061
local terms energy: -66.190605
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -9.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -96.434644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.434644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.434644 (E_RNA)
where:
Base-Base interactions energy: -44.579
where: short stacking energy: -30.406
Base-Backbone interact. energy: -0.433
local terms energy: -51.421981
where:
bonds (distance) C4'-P energy: -9.289
bonds (distance) P-C4' energy: -18.270
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -0.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -90.953354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.953354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.953354 (E_RNA)
where:
Base-Base interactions energy: -35.214
where: short stacking energy: -33.358
Base-Backbone interact. energy: 1.069
local terms energy: -56.807925
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -1.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -88.345741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.345741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.345741 (E_RNA)
where:
Base-Base interactions energy: -44.031
where: short stacking energy: -38.826
Base-Backbone interact. energy: -0.129
local terms energy: -44.186075
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -11.903
flat angles C4'-P-C4' energy: -9.525
flat angles P-C4'-P energy: -6.574
tors. eta vs tors. theta energy: -2.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -229.960874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.960874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.960874 (E_RNA)
where:
Base-Base interactions energy: -147.128
where: short stacking energy: -83.420
Base-Backbone interact. energy: -0.154
local terms energy: -82.679786
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: -21.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -217.469741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.469741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.469741 (E_RNA)
where:
Base-Base interactions energy: -142.134
where: short stacking energy: -63.513
Base-Backbone interact. energy: -0.066
local terms energy: -75.269008
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -14.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -237.518391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.518391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.518391 (E_RNA)
where:
Base-Base interactions energy: -158.661
where: short stacking energy: -64.629
Base-Backbone interact. energy: 0.634
local terms energy: -79.491695
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -20.671
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -12.623
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: 1
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -221.402701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.402701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.402701 (E_RNA)
where:
Base-Base interactions energy: -145.270
where: short stacking energy: -72.233
Base-Backbone interact. energy: -0.048
local terms energy: -76.083966
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -10.775
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: 5, replica: 3
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -193.574579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.574579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.574579 (E_RNA)
where:
Base-Base interactions energy: -124.370
where: short stacking energy: -52.079
Base-Backbone interact. energy: -0.460
local terms energy: -68.744737
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -18.888
flat angles P-C4'-P energy: -12.532
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: 6, replica: 7
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -170.550570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.550570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.550570 (E_RNA)
where:
Base-Base interactions energy: -107.309
where: short stacking energy: -54.954
Base-Backbone interact. energy: 0.266
local terms energy: -63.507515
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -6.260
tors. eta vs tors. theta energy: -10.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -92.407079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.407079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.407079 (E_RNA)
where:
Base-Base interactions energy: -40.363
where: short stacking energy: -29.548
Base-Backbone interact. energy: -0.184
local terms energy: -51.860453
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -10.570
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: 1.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -96.895698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.895698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.895698 (E_RNA)
where:
Base-Base interactions energy: -41.342
where: short stacking energy: -41.342
Base-Backbone interact. energy: -0.107
local terms energy: -55.446407
where:
bonds (distance) C4'-P energy: -10.358
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -11.714
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -6.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -84.869103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.869103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.869103 (E_RNA)
where:
Base-Base interactions energy: -30.455
where: short stacking energy: -30.455
Base-Backbone interact. energy: -0.766
local terms energy: -53.648340
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -5.556
tors. eta vs tors. theta energy: -2.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -88.192980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.192980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.192980 (E_RNA)
where:
Base-Base interactions energy: -35.809
where: short stacking energy: -27.297
Base-Backbone interact. energy: -0.335
local terms energy: -52.049677
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -8.912
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: 4
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -226.642831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.642831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.642831 (E_RNA)
where:
Base-Base interactions energy: -140.656
where: short stacking energy: -71.485
Base-Backbone interact. energy: -0.425
local terms energy: -85.561552
where:
bonds (distance) C4'-P energy: -16.746
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -24.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -244.627989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.627989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.627989 (E_RNA)
where:
Base-Base interactions energy: -167.869
where: short stacking energy: -66.080
Base-Backbone interact. energy: -0.102
local terms energy: -76.656586
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -14.437
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: 2
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -200.607906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.607906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.607906 (E_RNA)
where:
Base-Base interactions energy: -127.046
where: short stacking energy: -68.396
Base-Backbone interact. energy: -1.472
local terms energy: -72.089422
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -17.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -222.452750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.452750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.452750 (E_RNA)
where:
Base-Base interactions energy: -142.742
where: short stacking energy: -70.144
Base-Backbone interact. energy: -0.127
local terms energy: -79.584291
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -12.541
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: 5, replica: 3
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -177.464054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.464054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.464054 (E_RNA)
where:
Base-Base interactions energy: -110.815
where: short stacking energy: -51.687
Base-Backbone interact. energy: -0.071
local terms energy: -66.577377
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -13.354
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -9.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -175.009337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.009337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.009337 (E_RNA)
where:
Base-Base interactions energy: -106.377
where: short stacking energy: -57.711
Base-Backbone interact. energy: -0.104
local terms energy: -68.527730
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -14.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -93.648920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.648920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.648920 (E_RNA)
where:
Base-Base interactions energy: -38.572
where: short stacking energy: -37.381
Base-Backbone interact. energy: -0.109
local terms energy: -54.967946
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -9.996
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -3.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -92.469551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.469551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.469551 (E_RNA)
where:
Base-Base interactions energy: -40.662
where: short stacking energy: -31.996
Base-Backbone interact. energy: -0.664
local terms energy: -51.143272
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -9.682
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -5.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -81.903892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.903892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.903892 (E_RNA)
where:
Base-Base interactions energy: -25.795
where: short stacking energy: -25.214
Base-Backbone interact. energy: -0.253
local terms energy: -55.856273
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -11.720
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -0.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -87.758996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.758996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.758996 (E_RNA)
where:
Base-Base interactions energy: -36.056
where: short stacking energy: -26.078
Base-Backbone interact. energy: -0.101
local terms energy: -51.601996
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -12.914
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -0.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -239.846204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.846204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.846204 (E_RNA)
where:
Base-Base interactions energy: -158.173
where: short stacking energy: -74.971
Base-Backbone interact. energy: -0.632
local terms energy: -81.041404
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -18.879
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -15.699
tors. eta vs tors. theta energy: -16.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -221.191196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.191196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.191196 (E_RNA)
where:
Base-Base interactions energy: -134.286
where: short stacking energy: -80.262
Base-Backbone interact. energy: -0.596
local terms energy: -86.308822
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -18.646
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -22.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -210.683638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.683638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.683638 (E_RNA)
where:
Base-Base interactions energy: -132.677
where: short stacking energy: -61.228
Base-Backbone interact. energy: -0.376
local terms energy: -77.631083
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -18.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -205.707196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.707196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.707196 (E_RNA)
where:
Base-Base interactions energy: -128.370
where: short stacking energy: -60.246
Base-Backbone interact. energy: -0.143
local terms energy: -77.193879
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -18.302
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: 5, replica: 7
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -188.491139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.491139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.491139 (E_RNA)
where:
Base-Base interactions energy: -122.714
where: short stacking energy: -54.978
Base-Backbone interact. energy: -1.675
local terms energy: -64.102819
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -17.379
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -11.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -158.443512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.443512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.443512 (E_RNA)
where:
Base-Base interactions energy: -102.226
where: short stacking energy: -48.804
Base-Backbone interact. energy: -0.162
local terms energy: -56.054956
where:
bonds (distance) C4'-P energy: -15.699
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -8.206
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: 8
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -104.610796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.610796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.610796 (E_RNA)
where:
Base-Base interactions energy: -43.796
where: short stacking energy: -43.796
Base-Backbone interact. energy: -0.134
local terms energy: -60.680923
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -10.753
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -10.138
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: 8, replica: 10
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -88.801943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.801943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.801943 (E_RNA)
where:
Base-Base interactions energy: -43.296
where: short stacking energy: -32.689
Base-Backbone interact. energy: -0.062
local terms energy: -45.444014
where:
bonds (distance) C4'-P energy: -9.972
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -5.995
tors. eta vs tors. theta energy: -1.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -87.346800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.346800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.346800 (E_RNA)
where:
Base-Base interactions energy: -28.796
where: short stacking energy: -24.741
Base-Backbone interact. energy: -0.238
local terms energy: -58.313390
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -1.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -92.618555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.618555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.618555 (E_RNA)
where:
Base-Base interactions energy: -33.398
where: short stacking energy: -16.827
Base-Backbone interact. energy: -0.011
local terms energy: -59.209809
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: 1.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -242.312518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.312518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.312518 (E_RNA)
where:
Base-Base interactions energy: -162.488
where: short stacking energy: -63.334
Base-Backbone interact. energy: -1.323
local terms energy: -78.501574
where:
bonds (distance) C4'-P energy: -16.713
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -12.661
tors. eta vs tors. theta energy: -15.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -226.452284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.452284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.452284 (E_RNA)
where:
Base-Base interactions energy: -138.654
where: short stacking energy: -77.953
Base-Backbone interact. energy: -0.004
local terms energy: -87.794035
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -12.923
tors. eta vs tors. theta energy: -23.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -213.145703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.145703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.145703 (E_RNA)
where:
Base-Base interactions energy: -136.349
where: short stacking energy: -58.044
Base-Backbone interact. energy: -0.026
local terms energy: -76.770405
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -17.603
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -15.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -194.483117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.483117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.483117 (E_RNA)
where:
Base-Base interactions energy: -119.501
where: short stacking energy: -53.984
Base-Backbone interact. energy: -0.756
local terms energy: -74.225760
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -8.612
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: 7
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -177.198085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.198085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.198085 (E_RNA)
where:
Base-Base interactions energy: -115.798
where: short stacking energy: -53.451
Base-Backbone interact. energy: -0.580
local terms energy: -60.819457
where:
bonds (distance) C4'-P energy: -9.525
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -12.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -182.520166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.520166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.520166 (E_RNA)
where:
Base-Base interactions energy: -107.860
where: short stacking energy: -55.800
Base-Backbone interact. energy: -0.020
local terms energy: -74.639798
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -9.624
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: 7, replica: 8
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -98.577624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.577624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.577624 (E_RNA)
where:
Base-Base interactions energy: -36.054
where: short stacking energy: -30.285
Base-Backbone interact. energy: -0.281
local terms energy: -62.242797
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -5.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -89.915499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.915499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.915499 (E_RNA)
where:
Base-Base interactions energy: -26.781
where: short stacking energy: -26.375
Base-Backbone interact. energy: -0.106
local terms energy: -63.028259
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -8.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -95.189783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.189783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.189783 (E_RNA)
where:
Base-Base interactions energy: -41.236
where: short stacking energy: -39.854
Base-Backbone interact. energy: 1.399
local terms energy: -55.352989
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -7.461
tors. eta vs tors. theta energy: -5.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -83.346724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.346724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.346724 (E_RNA)
where:
Base-Base interactions energy: -26.716
where: short stacking energy: -23.996
Base-Backbone interact. energy: -0.710
local terms energy: -55.920184
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -14.083
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -255.235579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.235579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.235579 (E_RNA)
where:
Base-Base interactions energy: -175.843
where: short stacking energy: -65.340
Base-Backbone interact. energy: 0.037
local terms energy: -79.429642
where:
bonds (distance) C4'-P energy: -17.930
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -14.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -224.904539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.904539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.904539 (E_RNA)
where:
Base-Base interactions energy: -141.400
where: short stacking energy: -74.704
Base-Backbone interact. energy: 0.030
local terms energy: -83.534806
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -24.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -221.046042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.046042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.046042 (E_RNA)
where:
Base-Base interactions energy: -142.185
where: short stacking energy: -62.165
Base-Backbone interact. energy: -0.124
local terms energy: -78.737658
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -17.984
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -18.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -196.708452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.708452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.708452 (E_RNA)
where:
Base-Base interactions energy: -122.122
where: short stacking energy: -66.782
Base-Backbone interact. energy: -0.083
local terms energy: -74.503223
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -18.532
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -16.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -189.231407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.231407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.231407 (E_RNA)
where:
Base-Base interactions energy: -116.650
where: short stacking energy: -52.701
Base-Backbone interact. energy: -0.700
local terms energy: -71.881715
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -14.129
tors. eta vs tors. theta energy: -15.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -175.033583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.033583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.033583 (E_RNA)
where:
Base-Base interactions energy: -105.106
where: short stacking energy: -57.345
Base-Backbone interact. energy: -0.077
local terms energy: -69.850448
where:
bonds (distance) C4'-P energy: -16.417
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -13.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -117.662471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.662471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.662471 (E_RNA)
where:
Base-Base interactions energy: -61.986
where: short stacking energy: -32.931
Base-Backbone interact. energy: -0.063
local terms energy: -55.612934
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -6.523
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -6.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -91.076407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.076407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.076407 (E_RNA)
where:
Base-Base interactions energy: -46.419
where: short stacking energy: -35.530
Base-Backbone interact. energy: -0.092
local terms energy: -44.565612
where:
bonds (distance) C4'-P energy: -5.895
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -6.320
tors. eta vs tors. theta energy: -4.682
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: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -103.515389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.515389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.515389 (E_RNA)
where:
Base-Base interactions energy: -59.719
where: short stacking energy: -31.684
Base-Backbone interact. energy: -0.302
local terms energy: -43.493866
where:
bonds (distance) C4'-P energy: -10.202
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: 3.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -89.775420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.775420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.775420 (E_RNA)
where:
Base-Base interactions energy: -36.207
where: short stacking energy: -20.238
Base-Backbone interact. energy: -0.333
local terms energy: -53.234944
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: 1.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -248.669316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.669316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.669316 (E_RNA)
where:
Base-Base interactions energy: -175.161
where: short stacking energy: -71.434
Base-Backbone interact. energy: -0.832
local terms energy: -72.677056
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -13.232
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: 2, replica: 1
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -232.971149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.971149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.971149 (E_RNA)
where:
Base-Base interactions energy: -154.200
where: short stacking energy: -65.248
Base-Backbone interact. energy: -0.034
local terms energy: -78.737428
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -18.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -214.976048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.976048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.976048 (E_RNA)
where:
Base-Base interactions energy: -133.495
where: short stacking energy: -73.838
Base-Backbone interact. energy: -0.080
local terms energy: -81.401312
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -22.876
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: 4, replica: 3
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -195.034913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.034913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.034913 (E_RNA)
where:
Base-Base interactions energy: -121.789
where: short stacking energy: -63.969
Base-Backbone interact. energy: -0.129
local terms energy: -73.116563
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -14.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -195.045688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.045688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.045688 (E_RNA)
where:
Base-Base interactions energy: -123.673
where: short stacking energy: -66.841
Base-Backbone interact. energy: -0.177
local terms energy: -71.195963
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -11.366
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -14.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -187.220326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.220326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.220326 (E_RNA)
where:
Base-Base interactions energy: -121.172
where: short stacking energy: -65.924
Base-Backbone interact. energy: -0.028
local terms energy: -66.020155
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -13.266
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -17.231
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: 8
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -95.610086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.610086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.610086 (E_RNA)
where:
Base-Base interactions energy: -38.751
where: short stacking energy: -38.734
Base-Backbone interact. energy: -0.158
local terms energy: -56.700636
where:
bonds (distance) C4'-P energy: -10.818
bonds (distance) P-C4' energy: -19.461
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -1.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -135.247724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.247724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.247724 (E_RNA)
where:
Base-Base interactions energy: -67.578
where: short stacking energy: -46.158
Base-Backbone interact. energy: -0.232
local terms energy: -67.437961
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -11.710
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: 10
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -82.361959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.361959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.361959 (E_RNA)
where:
Base-Base interactions energy: -27.992
where: short stacking energy: -23.995
Base-Backbone interact. energy: -0.778
local terms energy: -53.592252
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -8.506
flat angles P-C4'-P energy: -9.783
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: 10, replica: 9
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -80.186408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.186408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.186408 (E_RNA)
where:
Base-Base interactions energy: -32.915
where: short stacking energy: -30.186
Base-Backbone interact. energy: 0.493
local terms energy: -47.764158
where:
bonds (distance) C4'-P energy: -10.937
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -7.431
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: 0.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -235.960189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.960189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.960189 (E_RNA)
where:
Base-Base interactions energy: -153.959
where: short stacking energy: -67.733
Base-Backbone interact. energy: -0.156
local terms energy: -81.845394
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -20.678
flat angles P-C4'-P energy: -14.000
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: 2, replica: 5
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -243.111087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.111087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.111087 (E_RNA)
where:
Base-Base interactions energy: -170.074
where: short stacking energy: -69.017
Base-Backbone interact. energy: -0.673
local terms energy: -72.363869
where:
bonds (distance) C4'-P energy: -18.115
bonds (distance) P-C4' energy: -16.697
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -11.607
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: 3, replica: 4
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -217.604752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.604752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.604752 (E_RNA)
where:
Base-Base interactions energy: -141.431
where: short stacking energy: -82.283
Base-Backbone interact. energy: -0.093
local terms energy: -76.080813
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -10.106
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -21.997
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: 4, replica: 3
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -193.663147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.663147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.663147 (E_RNA)
where:
Base-Base interactions energy: -121.511
where: short stacking energy: -63.947
Base-Backbone interact. energy: -0.882
local terms energy: -71.270840
where:
bonds (distance) C4'-P energy: -12.026
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -18.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -197.571938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.571938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.571938 (E_RNA)
where:
Base-Base interactions energy: -127.077
where: short stacking energy: -55.850
Base-Backbone interact. energy: -0.138
local terms energy: -70.356999
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -10.433
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -12.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -184.035860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.035860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.035860 (E_RNA)
where:
Base-Base interactions energy: -108.986
where: short stacking energy: -53.810
Base-Backbone interact. energy: -0.046
local terms energy: -75.004093
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -17.887
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -13.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -154.370062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.370062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.370062 (E_RNA)
where:
Base-Base interactions energy: -94.527
where: short stacking energy: -35.223
Base-Backbone interact. energy: 1.447
local terms energy: -61.289863
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -3.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -91.223215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.223215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.223215 (E_RNA)
where:
Base-Base interactions energy: -31.319
where: short stacking energy: -31.263
Base-Backbone interact. energy: -0.008
local terms energy: -59.895641
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -18.503
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -3.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -87.805028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.805028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.805028 (E_RNA)
where:
Base-Base interactions energy: -39.423
where: short stacking energy: -34.897
Base-Backbone interact. energy: -0.544
local terms energy: -47.838298
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: 0.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -80.087320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.087320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.087320 (E_RNA)
where:
Base-Base interactions energy: -30.676
where: short stacking energy: -30.676
Base-Backbone interact. energy: 0.407
local terms energy: -49.818740
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -17.300
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -2.741
tors. eta vs tors. theta energy: -0.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -233.302495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.302495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.302495 (E_RNA)
where:
Base-Base interactions energy: -148.281
where: short stacking energy: -74.107
Base-Backbone interact. energy: -0.011
local terms energy: -85.010183
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -19.006
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: -20.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -239.496065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.496065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.496065 (E_RNA)
where:
Base-Base interactions energy: -170.457
where: short stacking energy: -64.929
Base-Backbone interact. energy: 0.321
local terms energy: -69.360160
where:
bonds (distance) C4'-P energy: -17.741
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -18.902
flat angles P-C4'-P energy: -6.473
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: 3, replica: 4
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -218.352220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.352220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.352220 (E_RNA)
where:
Base-Base interactions energy: -134.737
where: short stacking energy: -68.756
Base-Backbone interact. energy: -1.409
local terms energy: -82.206466
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -19.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -190.253976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.253976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.253976 (E_RNA)
where:
Base-Base interactions energy: -124.272
where: short stacking energy: -52.749
Base-Backbone interact. energy: -0.041
local terms energy: -65.941705
where:
bonds (distance) C4'-P energy: -13.786
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -18.845
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -11.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -187.506159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.506159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.506159 (E_RNA)
where:
Base-Base interactions energy: -115.163
where: short stacking energy: -55.253
Base-Backbone interact. energy: -0.020
local terms energy: -72.323486
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -11.741
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -19.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -162.187416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.187416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.187416 (E_RNA)
where:
Base-Base interactions energy: -102.042
where: short stacking energy: -53.501
Base-Backbone interact. energy: -0.933
local terms energy: -59.213008
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -6.620
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: 7, replica: 7
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -174.774604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.774604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.774604 (E_RNA)
where:
Base-Base interactions energy: -117.810
where: short stacking energy: -55.848
Base-Backbone interact. energy: -0.050
local terms energy: -56.914854
where:
bonds (distance) C4'-P energy: -8.955
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -13.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -85.060328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.060328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.060328 (E_RNA)
where:
Base-Base interactions energy: -39.318
where: short stacking energy: -19.310
Base-Backbone interact. energy: 0.858
local terms energy: -46.600470
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -6.831
tors. eta vs tors. theta energy: 2.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -90.361763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.361763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.361763 (E_RNA)
where:
Base-Base interactions energy: -43.027
where: short stacking energy: -17.430
Base-Backbone interact. energy: -0.384
local terms energy: -46.950312
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -14.929
flat angles C4'-P-C4' energy: -6.691
flat angles P-C4'-P energy: -14.164
tors. eta vs tors. theta energy: 3.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -88.957568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.957568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.957568 (E_RNA)
where:
Base-Base interactions energy: -37.604
where: short stacking energy: -33.104
Base-Backbone interact. energy: -2.865
local terms energy: -48.488465
where:
bonds (distance) C4'-P energy: -10.304
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: 0.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -249.205476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.205476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.205476 (E_RNA)
where:
Base-Base interactions energy: -168.424
where: short stacking energy: -65.090
Base-Backbone interact. energy: -0.309
local terms energy: -80.472257
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -18.343
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -15.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -235.713849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.713849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.713849 (E_RNA)
where:
Base-Base interactions energy: -150.420
where: short stacking energy: -75.099
Base-Backbone interact. energy: 0.405
local terms energy: -85.699204
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -19.515
flat angles P-C4'-P energy: -13.110
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: 3, replica: 4
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -201.015539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.015539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.015539 (E_RNA)
where:
Base-Base interactions energy: -131.082
where: short stacking energy: -63.207
Base-Backbone interact. energy: -0.201
local terms energy: -69.732972
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -5.187
tors. eta vs tors. theta energy: -14.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -196.184488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.184488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.184488 (E_RNA)
where:
Base-Base interactions energy: -130.666
where: short stacking energy: -62.154
Base-Backbone interact. energy: -0.065
local terms energy: -65.452923
where:
bonds (distance) C4'-P energy: -10.258
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -11.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -201.445053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.445053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.445053 (E_RNA)
where:
Base-Base interactions energy: -130.249
where: short stacking energy: -57.756
Base-Backbone interact. energy: -0.023
local terms energy: -71.172291
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -17.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -158.750306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.750306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.750306 (E_RNA)
where:
Base-Base interactions energy: -94.271
where: short stacking energy: -30.710
Base-Backbone interact. energy: 1.031
local terms energy: -65.510392
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -7.201
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: 9
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -97.837172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.837172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.837172 (E_RNA)
where:
Base-Base interactions energy: -33.615
where: short stacking energy: -33.615
Base-Backbone interact. energy: -0.023
local terms energy: -64.199074
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -7.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -131.317836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.317836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.317836 (E_RNA)
where:
Base-Base interactions energy: -79.739
where: short stacking energy: -37.710
Base-Backbone interact. energy: -1.052
local terms energy: -50.527172
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -7.994
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -2.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -84.777403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.777403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.777403 (E_RNA)
where:
Base-Base interactions energy: -28.384
where: short stacking energy: -28.384
Base-Backbone interact. energy: -0.153
local terms energy: -56.240881
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -6.166
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: 86
Temperature: 1.350000
Total energy: -78.243074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.243074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.243074 (E_RNA)
where:
Base-Base interactions energy: -26.617
where: short stacking energy: -20.112
Base-Backbone interact. energy: -0.234
local terms energy: -51.391382
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -10.191
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: 0.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -242.061476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.061476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.061476 (E_RNA)
where:
Base-Base interactions energy: -162.862
where: short stacking energy: -71.434
Base-Backbone interact. energy: -0.359
local terms energy: -78.840238
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -13.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -230.466444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.466444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.466444 (E_RNA)
where:
Base-Base interactions energy: -151.458
where: short stacking energy: -70.236
Base-Backbone interact. energy: -0.734
local terms energy: -78.274031
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -18.985
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -19.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -216.613242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.613242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.613242 (E_RNA)
where:
Base-Base interactions energy: -136.978
where: short stacking energy: -72.986
Base-Backbone interact. energy: -0.370
local terms energy: -79.265181
where:
bonds (distance) C4'-P energy: -17.040
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -21.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -204.816506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.816506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.816506 (E_RNA)
where:
Base-Base interactions energy: -129.778
where: short stacking energy: -70.383
Base-Backbone interact. energy: -0.294
local terms energy: -74.743787
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -18.529
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -15.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -199.093869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.093869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.093869 (E_RNA)
where:
Base-Base interactions energy: -123.690
where: short stacking energy: -62.081
Base-Backbone interact. energy: -0.288
local terms energy: -75.115374
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -8.087
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: 6
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -175.749182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.749182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.749182 (E_RNA)
where:
Base-Base interactions energy: -115.476
where: short stacking energy: -53.023
Base-Backbone interact. energy: -0.659
local terms energy: -59.613939
where:
bonds (distance) C4'-P energy: -18.539
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -4.006
tors. eta vs tors. theta energy: -11.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -97.882047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.882047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.882047 (E_RNA)
where:
Base-Base interactions energy: -37.545
where: short stacking energy: -37.252
Base-Backbone interact. energy: 0.036
local terms energy: -60.373746
where:
bonds (distance) C4'-P energy: -11.012
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -11.477
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: 10
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -97.364340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.364340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.364340 (E_RNA)
where:
Base-Base interactions energy: -39.744
where: short stacking energy: -36.079
Base-Backbone interact. energy: -0.145
local terms energy: -57.475323
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -7.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -156.742786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.742786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.742786 (E_RNA)
where:
Base-Base interactions energy: -96.340
where: short stacking energy: -52.845
Base-Backbone interact. energy: -0.232
local terms energy: -60.170864
where:
bonds (distance) C4'-P energy: -9.237
bonds (distance) P-C4' energy: -11.194
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -13.118
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: 87
Temperature: 1.350000
Total energy: -86.083423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.083423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.083423 (E_RNA)
where:
Base-Base interactions energy: -32.502
where: short stacking energy: -32.502
Base-Backbone interact. energy: -0.033
local terms energy: -53.549233
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -9.728
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: 5
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -245.509717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.509717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.509717 (E_RNA)
where:
Base-Base interactions energy: -175.438
where: short stacking energy: -68.464
Base-Backbone interact. energy: -0.596
local terms energy: -69.475668
where:
bonds (distance) C4'-P energy: -15.496
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -9.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -235.193357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.193357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.193357 (E_RNA)
where:
Base-Base interactions energy: -153.101
where: short stacking energy: -71.790
Base-Backbone interact. energy: -0.103
local terms energy: -81.989308
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -20.444
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: 3, replica: 4
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -224.770240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.770240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.770240 (E_RNA)
where:
Base-Base interactions energy: -141.324
where: short stacking energy: -75.456
Base-Backbone interact. energy: -0.015
local terms energy: -83.431240
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -12.010
tors. eta vs tors. theta energy: -22.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -184.840252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.840252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.840252 (E_RNA)
where:
Base-Base interactions energy: -116.437
where: short stacking energy: -69.883
Base-Backbone interact. energy: -0.170
local terms energy: -68.233721
where:
bonds (distance) C4'-P energy: -17.645
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -9.300
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -17.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -196.477119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.477119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.477119 (E_RNA)
where:
Base-Base interactions energy: -121.271
where: short stacking energy: -56.059
Base-Backbone interact. energy: -0.481
local terms energy: -74.725185
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -14.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -185.664742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.664742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.664742 (E_RNA)
where:
Base-Base interactions energy: -117.218
where: short stacking energy: -65.092
Base-Backbone interact. energy: -0.007
local terms energy: -68.439806
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -11.143
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -18.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -90.424742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.424742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.424742 (E_RNA)
where:
Base-Base interactions energy: -33.611
where: short stacking energy: -30.890
Base-Backbone interact. energy: -0.117
local terms energy: -56.696518
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -6.188
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -9.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -90.136062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.136062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.136062 (E_RNA)
where:
Base-Base interactions energy: -36.321
where: short stacking energy: -29.085
Base-Backbone interact. energy: 0.280
local terms energy: -54.095707
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -17.829
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -2.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -124.940844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.940844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.940844 (E_RNA)
where:
Base-Base interactions energy: -69.319
where: short stacking energy: -28.104
Base-Backbone interact. energy: -0.276
local terms energy: -55.345606
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -2.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -77.427917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.427917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.427917 (E_RNA)
where:
Base-Base interactions energy: -20.984
where: short stacking energy: -17.764
Base-Backbone interact. energy: -0.155
local terms energy: -56.289741
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -10.188
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: 5
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -248.560885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.560885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.560885 (E_RNA)
where:
Base-Base interactions energy: -174.813
where: short stacking energy: -72.950
Base-Backbone interact. energy: -1.429
local terms energy: -72.318299
where:
bonds (distance) C4'-P energy: -16.773
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -15.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -235.593335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.593335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.593335 (E_RNA)
where:
Base-Base interactions energy: -150.323
where: short stacking energy: -72.644
Base-Backbone interact. energy: 0.738
local terms energy: -86.007633
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -15.423
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: 3, replica: 4
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -217.997840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.997840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.997840 (E_RNA)
where:
Base-Base interactions energy: -132.800
where: short stacking energy: -76.412
Base-Backbone interact. energy: -0.899
local terms energy: -84.298248
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -21.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -155.807427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.807427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.807427 (E_RNA)
where:
Base-Base interactions energy: -82.065
where: short stacking energy: -49.790
Base-Backbone interact. energy: -0.045
local terms energy: -73.697818
where:
bonds (distance) C4'-P energy: -17.707
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -186.809343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.809343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.809343 (E_RNA)
where:
Base-Base interactions energy: -110.919
where: short stacking energy: -51.526
Base-Backbone interact. energy: -0.334
local terms energy: -75.556365
where:
bonds (distance) C4'-P energy: -18.112
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -18.028
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -13.036
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: 2
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -181.946825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.946825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.946825 (E_RNA)
where:
Base-Base interactions energy: -116.877
where: short stacking energy: -57.629
Base-Backbone interact. energy: -0.158
local terms energy: -64.912348
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -12.277
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -5.909
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: 7, replica: 10
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -103.272528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.272528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.272528 (E_RNA)
where:
Base-Base interactions energy: -45.959
where: short stacking energy: -31.554
Base-Backbone interact. energy: 0.060
local terms energy: -57.373112
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -5.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -139.556973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.556973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.556973 (E_RNA)
where:
Base-Base interactions energy: -89.010
where: short stacking energy: -33.741
Base-Backbone interact. energy: -0.127
local terms energy: -50.419971
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -9.599
flat angles P-C4'-P energy: -5.206
tors. eta vs tors. theta energy: -4.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -106.611122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.611122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.611122 (E_RNA)
where:
Base-Base interactions energy: -41.338
where: short stacking energy: -27.813
Base-Backbone interact. energy: -0.128
local terms energy: -65.145078
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -5.729
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: 89
Temperature: 1.350000
Total energy: -89.517238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.517238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.517238 (E_RNA)
where:
Base-Base interactions energy: -34.351
where: short stacking energy: -27.716
Base-Backbone interact. energy: -0.705
local terms energy: -54.461136
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -3.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -256.790769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.790769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.790769 (E_RNA)
where:
Base-Base interactions energy: -177.270
where: short stacking energy: -67.315
Base-Backbone interact. energy: 0.299
local terms energy: -79.819998
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -14.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -228.684689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.684689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.684689 (E_RNA)
where:
Base-Base interactions energy: -152.612
where: short stacking energy: -73.783
Base-Backbone interact. energy: -0.476
local terms energy: -75.596170
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -21.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -222.837935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.837935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.837935 (E_RNA)
where:
Base-Base interactions energy: -132.679
where: short stacking energy: -73.168
Base-Backbone interact. energy: -0.470
local terms energy: -89.689035
where:
bonds (distance) C4'-P energy: -19.437
bonds (distance) P-C4' energy: -18.958
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -22.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -139.382388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.382388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.382388 (E_RNA)
where:
Base-Base interactions energy: -72.643
where: short stacking energy: -51.121
Base-Backbone interact. energy: -0.806
local terms energy: -65.933066
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -18.944
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -10.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -191.109207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.109207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.109207 (E_RNA)
where:
Base-Base interactions energy: -117.905
where: short stacking energy: -69.002
Base-Backbone interact. energy: -0.001
local terms energy: -73.203198
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -20.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -180.493946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.493946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.493946 (E_RNA)
where:
Base-Base interactions energy: -109.387
where: short stacking energy: -50.188
Base-Backbone interact. energy: -0.150
local terms energy: -70.957476
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -17.555
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -13.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -161.240733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.240733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.240733 (E_RNA)
where:
Base-Base interactions energy: -100.486
where: short stacking energy: -43.143
Base-Backbone interact. energy: -0.210
local terms energy: -60.545468
where:
bonds (distance) C4'-P energy: -9.782
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -10.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -94.276617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.276617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.276617 (E_RNA)
where:
Base-Base interactions energy: -31.121
where: short stacking energy: -29.759
Base-Backbone interact. energy: -0.711
local terms energy: -62.443855
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -16.573
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -11.398
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: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -84.149481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.149481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.149481 (E_RNA)
where:
Base-Base interactions energy: -37.887
where: short stacking energy: -35.034
Base-Backbone interact. energy: -0.097
local terms energy: -46.164732
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -9.664
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -7.893
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: 10, replica: 8
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -82.189147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.189147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.189147 (E_RNA)
where:
Base-Base interactions energy: -31.259
where: short stacking energy: -24.003
Base-Backbone interact. energy: -0.505
local terms energy: -50.425088
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -11.537
flat angles P-C4'-P energy: -9.090
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: 1, replica: 5
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -262.324249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.324249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.324249 (E_RNA)
where:
Base-Base interactions energy: -184.288
where: short stacking energy: -71.909
Base-Backbone interact. energy: -1.396
local terms energy: -76.640091
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -11.601
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: -15.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -230.887407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.887407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.887407 (E_RNA)
where:
Base-Base interactions energy: -147.942
where: short stacking energy: -86.429
Base-Backbone interact. energy: -0.030
local terms energy: -82.915181
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -24.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -230.748236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.748236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.748236 (E_RNA)
where:
Base-Base interactions energy: -152.332
where: short stacking energy: -70.680
Base-Backbone interact. energy: -0.147
local terms energy: -78.269206
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: -19.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -197.978289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.978289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.978289 (E_RNA)
where:
Base-Base interactions energy: -120.220
where: short stacking energy: -56.725
Base-Backbone interact. energy: -0.142
local terms energy: -77.616418
where:
bonds (distance) C4'-P energy: -10.424
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -19.882
flat angles P-C4'-P energy: -13.912
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: 5, replica: 3
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -133.549758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.549758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.549758 (E_RNA)
where:
Base-Base interactions energy: -73.165
where: short stacking energy: -51.221
Base-Backbone interact. energy: 0.686
local terms energy: -61.070652
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -7.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -173.637389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.637389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.637389 (E_RNA)
where:
Base-Base interactions energy: -114.175
where: short stacking energy: -60.217
Base-Backbone interact. energy: -0.146
local terms energy: -59.316309
where:
bonds (distance) C4'-P energy: -12.238
bonds (distance) P-C4' energy: -9.721
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -12.292
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: 7, replica: 7
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -158.000238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.000238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.000238 (E_RNA)
where:
Base-Base interactions energy: -93.395
where: short stacking energy: -42.350
Base-Backbone interact. energy: -1.011
local terms energy: -63.593999
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -5.163
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: 8, replica: 9
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -88.484454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.484454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.484454 (E_RNA)
where:
Base-Base interactions energy: -27.741
where: short stacking energy: -27.741
Base-Backbone interact. energy: -0.490
local terms energy: -60.253395
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -4.652
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: 10
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -86.096671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.096671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.096671 (E_RNA)
where:
Base-Base interactions energy: -26.706
where: short stacking energy: -26.706
Base-Backbone interact. energy: -0.855
local terms energy: -58.535451
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -0.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -83.783835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.783835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.783835 (E_RNA)
where:
Base-Base interactions energy: -34.066
where: short stacking energy: -24.211
Base-Backbone interact. energy: 0.102
local terms energy: -49.819300
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -10.974
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: 1, replica: 5
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -243.324407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.324407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.324407 (E_RNA)
where:
Base-Base interactions energy: -165.467
where: short stacking energy: -69.879
Base-Backbone interact. energy: -0.748
local terms energy: -77.109149
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -18.071
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -16.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -220.087620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.087620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.087620 (E_RNA)
where:
Base-Base interactions energy: -145.904
where: short stacking energy: -78.678
Base-Backbone interact. energy: -0.104
local terms energy: -74.080029
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -11.572
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: 3, replica: 1
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -227.363122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.363122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.363122 (E_RNA)
where:
Base-Base interactions energy: -154.748
where: short stacking energy: -69.718
Base-Backbone interact. energy: -0.979
local terms energy: -71.636772
where:
bonds (distance) C4'-P energy: -17.798
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -16.772
flat angles P-C4'-P energy: -5.559
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: 4, replica: 6
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -196.872645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.872645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.872645 (E_RNA)
where:
Base-Base interactions energy: -117.252
where: short stacking energy: -58.879
Base-Backbone interact. energy: -0.030
local terms energy: -79.590164
where:
bonds (distance) C4'-P energy: -17.769
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -18.680
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -16.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -188.232574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.232574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.232574 (E_RNA)
where:
Base-Base interactions energy: -112.660
where: short stacking energy: -69.816
Base-Backbone interact. energy: -0.069
local terms energy: -75.503581
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -11.447
flat angles C4'-P-C4' energy: -18.112
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -17.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -120.105233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.105233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.105233 (E_RNA)
where:
Base-Base interactions energy: -55.217
where: short stacking energy: -55.217
Base-Backbone interact. energy: -0.001
local terms energy: -64.887634
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -18.924
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -12.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -89.728849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.728849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.728849 (E_RNA)
where:
Base-Base interactions energy: -28.399
where: short stacking energy: -28.399
Base-Backbone interact. energy: -0.014
local terms energy: -61.316348
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -0.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -157.263948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.263948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.263948 (E_RNA)
where:
Base-Base interactions energy: -94.196
where: short stacking energy: -46.419
Base-Backbone interact. energy: -0.298
local terms energy: -62.770481
where:
bonds (distance) C4'-P energy: -12.184
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -7.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -77.220423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.220423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.220423 (E_RNA)
where:
Base-Base interactions energy: -27.284
where: short stacking energy: -23.260
Base-Backbone interact. energy: -0.022
local terms energy: -49.913784
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -9.351
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: 92
Temperature: 1.350000
Total energy: -83.083915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.083915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.083915 (E_RNA)
where:
Base-Base interactions energy: -37.120
where: short stacking energy: -37.120
Base-Backbone interact. energy: -0.163
local terms energy: -45.801432
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -9.478
flat angles C4'-P-C4' energy: -8.949
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -2.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -234.239647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.239647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.239647 (E_RNA)
where:
Base-Base interactions energy: -161.329
where: short stacking energy: -65.623
Base-Backbone interact. energy: -0.812
local terms energy: -72.098736
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -11.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -237.956048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.956048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.956048 (E_RNA)
where:
Base-Base interactions energy: -155.854
where: short stacking energy: -75.231
Base-Backbone interact. energy: -0.202
local terms energy: -81.899722
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -11.551
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: 93
Temperature: 1.000000
Total energy: -212.520637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.520637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.520637 (E_RNA)
where:
Base-Base interactions energy: -132.081
where: short stacking energy: -67.476
Base-Backbone interact. energy: -1.581
local terms energy: -78.858913
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -17.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -191.468846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.468846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.468846 (E_RNA)
where:
Base-Base interactions energy: -113.075
where: short stacking energy: -57.089
Base-Backbone interact. energy: -0.031
local terms energy: -78.363067
where:
bonds (distance) C4'-P energy: -16.906
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -14.554
tors. eta vs tors. theta energy: -14.321
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: 6
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -188.593003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.593003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.593003 (E_RNA)
where:
Base-Base interactions energy: -113.181
where: short stacking energy: -61.677
Base-Backbone interact. energy: -0.306
local terms energy: -75.106322
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -18.681
flat angles P-C4'-P energy: -10.884
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: 6, replica: 3
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -103.435300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.435300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.435300 (E_RNA)
where:
Base-Base interactions energy: -43.148
where: short stacking energy: -30.917
Base-Backbone interact. energy: -0.270
local terms energy: -60.017327
where:
bonds (distance) C4'-P energy: -9.828
bonds (distance) P-C4' energy: -19.171
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -3.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -90.966087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.966087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.966087 (E_RNA)
where:
Base-Base interactions energy: -39.974
where: short stacking energy: -39.974
Base-Backbone interact. energy: -0.220
local terms energy: -50.772391
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: 0.171
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: 8, replica: 7
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -160.968361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.968361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.968361 (E_RNA)
where:
Base-Base interactions energy: -94.773
where: short stacking energy: -42.179
Base-Backbone interact. energy: -0.116
local terms energy: -66.078795
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -19.517
flat angles P-C4'-P energy: -3.982
tors. eta vs tors. theta energy: -9.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -88.685237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.685237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.685237 (E_RNA)
where:
Base-Base interactions energy: -31.865
where: short stacking energy: -30.333
Base-Backbone interact. energy: -0.214
local terms energy: -56.605416
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -11.555
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -7.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -75.672325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.672325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.672325 (E_RNA)
where:
Base-Base interactions energy: -25.965
where: short stacking energy: -25.135
Base-Backbone interact. energy: -0.264
local terms energy: -49.443610
where:
bonds (distance) C4'-P energy: -11.492
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -6.416
flat angles P-C4'-P energy: -9.158
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: 1
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -235.331900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.331900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.331900 (E_RNA)
where:
Base-Base interactions energy: -152.263
where: short stacking energy: -74.725
Base-Backbone interact. energy: -0.394
local terms energy: -82.674920
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -14.965
tors. eta vs tors. theta energy: -21.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -226.392770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.392770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.392770 (E_RNA)
where:
Base-Base interactions energy: -152.844
where: short stacking energy: -56.698
Base-Backbone interact. energy: -0.780
local terms energy: -72.768247
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -16.704
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -14.471
tors. eta vs tors. theta energy: -10.640
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: 2
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -221.654806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.654806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.654806 (E_RNA)
where:
Base-Base interactions energy: -139.777
where: short stacking energy: -72.993
Base-Backbone interact. energy: -0.132
local terms energy: -81.745997
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -10.304
tors. eta vs tors. theta energy: -21.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -213.420903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.420903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.420903 (E_RNA)
where:
Base-Base interactions energy: -140.668
where: short stacking energy: -61.659
Base-Backbone interact. energy: -0.125
local terms energy: -72.627533
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -12.239
flat angles C4'-P-C4' energy: -19.258
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -16.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -198.748170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.748170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.748170 (E_RNA)
where:
Base-Base interactions energy: -136.412
where: short stacking energy: -58.419
Base-Backbone interact. energy: -0.012
local terms energy: -62.323959
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -18.630
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -7.995
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: 6, replica: 3
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -114.732149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.732149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.732149 (E_RNA)
where:
Base-Base interactions energy: -49.875
where: short stacking energy: -37.776
Base-Backbone interact. energy: -1.984
local terms energy: -62.873118
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -5.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -120.222883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.222883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.222883 (E_RNA)
where:
Base-Base interactions energy: -47.874
where: short stacking energy: -40.831
Base-Backbone interact. energy: -0.145
local terms energy: -72.203572
where:
bonds (distance) C4'-P energy: -17.798
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -20.353
flat angles P-C4'-P energy: -13.239
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: 8, replica: 9
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -90.054560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.054560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.054560 (E_RNA)
where:
Base-Base interactions energy: -31.430
where: short stacking energy: -31.430
Base-Backbone interact. energy: 0.718
local terms energy: -59.342725
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -9.467
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: 94
Temperature: 1.300000
Total energy: -85.677125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.677125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.677125 (E_RNA)
where:
Base-Base interactions energy: -31.055
where: short stacking energy: -31.055
Base-Backbone interact. energy: -0.424
local terms energy: -54.197541
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -2.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -85.256143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.256143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.256143 (E_RNA)
where:
Base-Base interactions energy: -27.298
where: short stacking energy: -27.146
Base-Backbone interact. energy: -0.130
local terms energy: -57.828499
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -5.344
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: 1
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -237.884904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.884904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.884904 (E_RNA)
where:
Base-Base interactions energy: -155.921
where: short stacking energy: -77.633
Base-Backbone interact. energy: -0.618
local terms energy: -81.346396
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -18.681
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -21.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -225.291948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.291948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.291948 (E_RNA)
where:
Base-Base interactions energy: -152.416
where: short stacking energy: -69.649
Base-Backbone interact. energy: -0.018
local terms energy: -72.857613
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -12.252
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -15.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -240.185959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.185959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.185959 (E_RNA)
where:
Base-Base interactions energy: -170.285
where: short stacking energy: -60.912
Base-Backbone interact. energy: -0.699
local terms energy: -69.202484
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -13.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -206.612094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.612094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.612094 (E_RNA)
where:
Base-Base interactions energy: -135.120
where: short stacking energy: -62.521
Base-Backbone interact. energy: -0.012
local terms energy: -71.479570
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -15.764
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -14.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -198.372885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.372885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.372885 (E_RNA)
where:
Base-Base interactions energy: -123.129
where: short stacking energy: -65.166
Base-Backbone interact. energy: -0.123
local terms energy: -75.121151
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -20.199
flat angles P-C4'-P energy: -6.800
tors. eta vs tors. theta energy: -19.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -98.161811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.161811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.161811 (E_RNA)
where:
Base-Base interactions energy: -37.939
where: short stacking energy: -36.316
Base-Backbone interact. energy: -0.153
local terms energy: -60.070113
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -5.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -101.252663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.252663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.252663 (E_RNA)
where:
Base-Base interactions energy: -44.970
where: short stacking energy: -37.415
Base-Backbone interact. energy: -0.238
local terms energy: -56.044445
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -6.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -86.311067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.311067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.311067 (E_RNA)
where:
Base-Base interactions energy: -31.967
where: short stacking energy: -31.863
Base-Backbone interact. energy: -0.071
local terms energy: -54.272776
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -20.025
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -1.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -81.633534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.633534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.633534 (E_RNA)
where:
Base-Base interactions energy: -34.080
where: short stacking energy: -21.666
Base-Backbone interact. energy: -0.116
local terms energy: -47.437925
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: 3.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -79.113899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.113899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.113899 (E_RNA)
where:
Base-Base interactions energy: -31.339
where: short stacking energy: -23.943
Base-Backbone interact. energy: -0.100
local terms energy: -47.675090
where:
bonds (distance) C4'-P energy: -11.442
bonds (distance) P-C4' energy: -16.388
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: 0.279
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: 2
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -230.475239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.475239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.475239 (E_RNA)
where:
Base-Base interactions energy: -152.706
where: short stacking energy: -73.013
Base-Backbone interact. energy: -0.200
local terms energy: -77.568915
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -19.411
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -6.428
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: 2, replica: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -237.947824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.947824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.947824 (E_RNA)
where:
Base-Base interactions energy: -154.783
where: short stacking energy: -76.451
Base-Backbone interact. energy: -0.104
local terms energy: -83.061040
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -14.547
tors. eta vs tors. theta energy: -20.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -204.824567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.824567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.824567 (E_RNA)
where:
Base-Base interactions energy: -127.200
where: short stacking energy: -67.129
Base-Backbone interact. energy: -0.387
local terms energy: -77.237771
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -14.165
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -10.316
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: 4, replica: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -223.030320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.030320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.030320 (E_RNA)
where:
Base-Base interactions energy: -156.198
where: short stacking energy: -57.698
Base-Backbone interact. energy: -0.690
local terms energy: -66.142690
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -12.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -198.974924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.974924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.974924 (E_RNA)
where:
Base-Base interactions energy: -123.910
where: short stacking energy: -65.898
Base-Backbone interact. energy: -0.156
local terms energy: -74.909209
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -5.572
tors. eta vs tors. theta energy: -16.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -125.491912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.491912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.491912 (E_RNA)
where:
Base-Base interactions energy: -61.509
where: short stacking energy: -45.949
Base-Backbone interact. energy: 0.267
local terms energy: -64.250133
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -9.252
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: 7, replica: 8
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -96.970893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.970893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.970893 (E_RNA)
where:
Base-Base interactions energy: -33.092
where: short stacking energy: -29.906
Base-Backbone interact. energy: -0.064
local terms energy: -63.814451
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -18.713
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -8.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -104.863278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.863278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.863278 (E_RNA)
where:
Base-Base interactions energy: -43.481
where: short stacking energy: -43.479
Base-Backbone interact. energy: -0.080
local terms energy: -61.301844
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -12.139
flat angles C4'-P-C4' energy: -18.966
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -3.538
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: 10
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -84.159757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.159757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.159757 (E_RNA)
where:
Base-Base interactions energy: -33.775
where: short stacking energy: -33.775
Base-Backbone interact. energy: -0.304
local terms energy: -50.080840
where:
bonds (distance) C4'-P energy: -11.654
bonds (distance) P-C4' energy: -10.952
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -5.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -84.332975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.332975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.332975 (E_RNA)
where:
Base-Base interactions energy: -36.242
where: short stacking energy: -36.242
Base-Backbone interact. energy: -0.146
local terms energy: -47.945429
where:
bonds (distance) C4'-P energy: -11.446
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: -4.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -232.696048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.696048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.696048 (E_RNA)
where:
Base-Base interactions energy: -150.132
where: short stacking energy: -65.436
Base-Backbone interact. energy: -0.028
local terms energy: -82.536053
where:
bonds (distance) C4'-P energy: -18.700
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -11.146
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: 1
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -233.151005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.151005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.151005 (E_RNA)
where:
Base-Base interactions energy: -148.852
where: short stacking energy: -73.983
Base-Backbone interact. energy: -0.063
local terms energy: -84.236183
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -15.103
tors. eta vs tors. theta energy: -21.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -204.079767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.079767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.079767 (E_RNA)
where:
Base-Base interactions energy: -123.354
where: short stacking energy: -63.650
Base-Backbone interact. energy: 0.718
local terms energy: -81.443580
where:
bonds (distance) C4'-P energy: -19.619
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -17.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -222.643018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.643018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.643018 (E_RNA)
where:
Base-Base interactions energy: -151.602
where: short stacking energy: -60.248
Base-Backbone interact. energy: -0.659
local terms energy: -70.381462
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -12.451
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: 6
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -185.674958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.674958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.674958 (E_RNA)
where:
Base-Base interactions energy: -119.443
where: short stacking energy: -56.943
Base-Backbone interact. energy: -0.017
local terms energy: -66.214688
where:
bonds (distance) C4'-P energy: -11.045
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -14.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -113.779726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.779726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.779726 (E_RNA)
where:
Base-Base interactions energy: -64.161
where: short stacking energy: -36.730
Base-Backbone interact. energy: -0.038
local terms energy: -49.580603
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -9.183
flat angles P-C4'-P energy: -4.186
tors. eta vs tors. theta energy: -2.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -91.596677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.596677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.596677 (E_RNA)
where:
Base-Base interactions energy: -31.589
where: short stacking energy: -31.589
Base-Backbone interact. energy: -0.011
local terms energy: -59.996573
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -3.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -84.118682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.118682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.118682 (E_RNA)
where:
Base-Base interactions energy: -32.631
where: short stacking energy: -30.450
Base-Backbone interact. energy: -1.997
local terms energy: -49.490805
where:
bonds (distance) C4'-P energy: -10.101
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -3.654
tors. eta vs tors. theta energy: -4.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -99.923472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.923472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.923472 (E_RNA)
where:
Base-Base interactions energy: -46.028
where: short stacking energy: -43.614
Base-Backbone interact. energy: -0.087
local terms energy: -53.807945
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -10.030
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -10.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -74.176312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.176312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.176312 (E_RNA)
where:
Base-Base interactions energy: -28.641
where: short stacking energy: -23.570
Base-Backbone interact. energy: 0.293
local terms energy: -45.829020
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -12.645
flat angles C4'-P-C4' energy: -18.840
flat angles P-C4'-P energy: -5.927
tors. eta vs tors. theta energy: 5.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -232.290693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.290693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.290693 (E_RNA)
where:
Base-Base interactions energy: -152.297
where: short stacking energy: -71.978
Base-Backbone interact. energy: -0.142
local terms energy: -79.851670
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -20.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -223.752579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.752579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.752579 (E_RNA)
where:
Base-Base interactions energy: -138.767
where: short stacking energy: -72.894
Base-Backbone interact. energy: -0.003
local terms energy: -84.983366
where:
bonds (distance) C4'-P energy: -16.705
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -20.599
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -22.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -230.051906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.051906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.051906 (E_RNA)
where:
Base-Base interactions energy: -150.297
where: short stacking energy: -64.519
Base-Backbone interact. energy: -0.965
local terms energy: -78.790714
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -19.458
flat angles C4'-P-C4' energy: -18.524
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -12.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -209.210848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.210848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.210848 (E_RNA)
where:
Base-Base interactions energy: -138.011
where: short stacking energy: -66.928
Base-Backbone interact. energy: -0.232
local terms energy: -70.968539
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -12.086
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -17.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -189.892999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.892999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.892999 (E_RNA)
where:
Base-Base interactions energy: -114.957
where: short stacking energy: -46.942
Base-Backbone interact. energy: -0.355
local terms energy: -74.580999
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -11.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -125.860904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.860904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.860904 (E_RNA)
where:
Base-Base interactions energy: -60.326
where: short stacking energy: -47.954
Base-Backbone interact. energy: -0.176
local terms energy: -65.359596
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -5.707
tors. eta vs tors. theta energy: -13.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -90.012879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.012879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.012879 (E_RNA)
where:
Base-Base interactions energy: -37.094
where: short stacking energy: -33.887
Base-Backbone interact. energy: -1.233
local terms energy: -51.686203
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -13.084
flat angles C4'-P-C4' energy: -10.448
flat angles P-C4'-P energy: -8.455
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: 8
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -95.882640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.882640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.882640 (E_RNA)
where:
Base-Base interactions energy: -36.211
where: short stacking energy: -33.823
Base-Backbone interact. energy: -0.129
local terms energy: -59.543218
where:
bonds (distance) C4'-P energy: -13.591
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -10.020
flat angles P-C4'-P energy: -14.560
tors. eta vs tors. theta energy: -7.802
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: 9, replica: 9
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -81.154944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.154944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.154944 (E_RNA)
where:
Base-Base interactions energy: -30.824
where: short stacking energy: -21.063
Base-Backbone interact. energy: -0.107
local terms energy: -50.223694
where:
bonds (distance) C4'-P energy: -8.969
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: 0.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -85.642023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.642023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.642023 (E_RNA)
where:
Base-Base interactions energy: -36.209
where: short stacking energy: -27.309
Base-Backbone interact. energy: -0.129
local terms energy: -49.303735
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: 0.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -237.479370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.479370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.479370 (E_RNA)
where:
Base-Base interactions energy: -158.829
where: short stacking energy: -73.564
Base-Backbone interact. energy: -0.072
local terms energy: -78.577760
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -18.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -236.435381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.435381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.435381 (E_RNA)
where:
Base-Base interactions energy: -164.193
where: short stacking energy: -73.032
Base-Backbone interact. energy: -0.435
local terms energy: -71.806881
where:
bonds (distance) C4'-P energy: -17.379
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -11.021
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: 3, replica: 2
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -208.902759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.902759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.902759 (E_RNA)
where:
Base-Base interactions energy: -132.047
where: short stacking energy: -53.462
Base-Backbone interact. energy: 0.377
local terms energy: -77.232544
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -17.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -187.601564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.601564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.601564 (E_RNA)
where:
Base-Base interactions energy: -130.961
where: short stacking energy: -60.361
Base-Backbone interact. energy: -0.396
local terms energy: -56.244818
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -12.223
flat angles C4'-P-C4' energy: -8.893
flat angles P-C4'-P energy: -8.260
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: 5, replica: 4
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -189.196868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.196868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.196868 (E_RNA)
where:
Base-Base interactions energy: -116.783
where: short stacking energy: -60.669
Base-Backbone interact. energy: 0.034
local terms energy: -72.447915
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -20.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -140.914960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.914960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.914960 (E_RNA)
where:
Base-Base interactions energy: -68.896
where: short stacking energy: -47.921
Base-Backbone interact. energy: -0.017
local terms energy: -72.002186
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -18.907
flat angles C4'-P-C4' energy: -18.911
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -107.479140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.479140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.479140 (E_RNA)
where:
Base-Base interactions energy: -57.943
where: short stacking energy: -31.279
Base-Backbone interact. energy: -0.106
local terms energy: -49.430240
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -8.994
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -5.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -88.666146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.666146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.666146 (E_RNA)
where:
Base-Base interactions energy: -34.491
where: short stacking energy: -30.103
Base-Backbone interact. energy: 0.848
local terms energy: -55.022806
where:
bonds (distance) C4'-P energy: -12.031
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -4.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -91.501628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.501628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.501628 (E_RNA)
where:
Base-Base interactions energy: -35.148
where: short stacking energy: -35.148
Base-Backbone interact. energy: -0.178
local terms energy: -56.176020
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -5.389
tors. eta vs tors. theta energy: -6.705
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: 3
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -95.270487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.270487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.270487 (E_RNA)
where:
Base-Base interactions energy: -39.153
where: short stacking energy: -33.576
Base-Backbone interact. energy: 0.203
local terms energy: -56.320028
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -6.746
tors. eta vs tors. theta energy: -0.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -230.857780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.857780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.857780 (E_RNA)
where:
Base-Base interactions energy: -150.688
where: short stacking energy: -68.715
Base-Backbone interact. energy: -0.148
local terms energy: -80.021511
where:
bonds (distance) C4'-P energy: -17.333
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -11.203
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: 2, replica: 5
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -231.106879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.106879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.106879 (E_RNA)
where:
Base-Base interactions energy: -159.185
where: short stacking energy: -59.247
Base-Backbone interact. energy: -1.033
local terms energy: -70.889341
where:
bonds (distance) C4'-P energy: -18.960
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -12.792
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: 3, replica: 6
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -205.924463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.924463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.924463 (E_RNA)
where:
Base-Base interactions energy: -139.147
where: short stacking energy: -64.255
Base-Backbone interact. energy: 0.878
local terms energy: -67.655891
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -17.801
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -6.274
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: 4, replica: 2
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -202.373515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.373515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.373515 (E_RNA)
where:
Base-Base interactions energy: -126.897
where: short stacking energy: -60.903
Base-Backbone interact. energy: -0.099
local terms energy: -75.378276
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -8.339
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: 5, replica: 4
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -180.319458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.319458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.319458 (E_RNA)
where:
Base-Base interactions energy: -113.742
where: short stacking energy: -50.383
Base-Backbone interact. energy: -0.594
local terms energy: -65.983558
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -17.357
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -11.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -147.730581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.730581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.730581 (E_RNA)
where:
Base-Base interactions energy: -82.740
where: short stacking energy: -49.763
Base-Backbone interact. energy: -0.087
local terms energy: -64.903516
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -0.959
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: 7, replica: 7
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -96.441951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.441951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.441951 (E_RNA)
where:
Base-Base interactions energy: -42.094
where: short stacking energy: -42.094
Base-Backbone interact. energy: -0.081
local terms energy: -54.267682
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -10.267
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -5.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -99.106658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.106658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.106658 (E_RNA)
where:
Base-Base interactions energy: -40.309
where: short stacking energy: -27.183
Base-Backbone interact. energy: -0.379
local terms energy: -58.419431
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -1.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -79.985733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.985733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.985733 (E_RNA)
where:
Base-Base interactions energy: -30.871
where: short stacking energy: -25.811
Base-Backbone interact. energy: -0.024
local terms energy: -49.090249
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -13.385
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -3.959
tors. eta vs tors. theta energy: -2.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -81.513245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.513245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.513245 (E_RNA)
where:
Base-Base interactions energy: -33.230
where: short stacking energy: -29.497
Base-Backbone interact. energy: 1.942
local terms energy: -50.225388
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -4.005
tors. eta vs tors. theta energy: -2.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -240.865629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.865629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.865629 (E_RNA)
where:
Base-Base interactions energy: -154.823
where: short stacking energy: -69.234
Base-Backbone interact. energy: -0.368
local terms energy: -85.674462
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -19.213
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -20.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -216.372580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.372580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.372580 (E_RNA)
where:
Base-Base interactions energy: -135.912
where: short stacking energy: -71.931
Base-Backbone interact. energy: -0.026
local terms energy: -80.434665
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -13.822
tors. eta vs tors. theta energy: -17.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -229.486723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.486723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.486723 (E_RNA)
where:
Base-Base interactions energy: -155.261
where: short stacking energy: -50.972
Base-Backbone interact. energy: -0.911
local terms energy: -73.314846
where:
bonds (distance) C4'-P energy: -18.291
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -11.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -185.033145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.033145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.033145 (E_RNA)
where:
Base-Base interactions energy: -114.041
where: short stacking energy: -50.977
Base-Backbone interact. energy: -0.276
local terms energy: -70.715471
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -9.241
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: 2
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -198.378378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.378378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.378378 (E_RNA)
where:
Base-Base interactions energy: -124.861
where: short stacking energy: -54.196
Base-Backbone interact. energy: -0.002
local terms energy: -73.515443
where:
bonds (distance) C4'-P energy: -17.002
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -13.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -108.966551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.966551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.966551 (E_RNA)
where:
Base-Base interactions energy: -46.528
where: short stacking energy: -43.636
Base-Backbone interact. energy: -0.364
local terms energy: -62.075023
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -6.978
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -12.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -107.881237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.881237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.881237 (E_RNA)
where:
Base-Base interactions energy: -61.524
where: short stacking energy: -41.468
Base-Backbone interact. energy: 1.813
local terms energy: -48.169981
where:
bonds (distance) C4'-P energy: -9.922
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -3.988
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: 3
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -94.090262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.090262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.090262 (E_RNA)
where:
Base-Base interactions energy: -38.273
where: short stacking energy: -28.601
Base-Backbone interact. energy: -0.221
local terms energy: -55.596405
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -18.646
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: 1.235
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: 101
Temperature: 1.300000
Total energy: -86.885925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.885925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.885925 (E_RNA)
where:
Base-Base interactions energy: -37.615
where: short stacking energy: -30.211
Base-Backbone interact. energy: -0.233
local terms energy: -49.037906
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -11.687
flat angles C4'-P-C4' energy: -8.936
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -2.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -88.035798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.035798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.035798 (E_RNA)
where:
Base-Base interactions energy: -27.812
where: short stacking energy: -27.912
Base-Backbone interact. energy: -0.187
local terms energy: -60.036852
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -18.051
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -3.231
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: 1
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -239.106966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.106966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.106966 (E_RNA)
where:
Base-Base interactions energy: -158.304
where: short stacking energy: -76.316
Base-Backbone interact. energy: -0.354
local terms energy: -80.448849
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -17.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -212.031223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.031223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.031223 (E_RNA)
where:
Base-Base interactions energy: -143.754
where: short stacking energy: -68.712
Base-Backbone interact. energy: -0.428
local terms energy: -67.849128
where:
bonds (distance) C4'-P energy: -12.945
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -19.093
flat angles P-C4'-P energy: -7.687
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: 3, replica: 4
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -179.460631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.460631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.460631 (E_RNA)
where:
Base-Base interactions energy: -106.466
where: short stacking energy: -55.703
Base-Backbone interact. energy: -0.023
local terms energy: -72.971888
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -14.149
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: 4, replica: 5
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -229.611198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.611198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.611198 (E_RNA)
where:
Base-Base interactions energy: -151.163
where: short stacking energy: -56.151
Base-Backbone interact. energy: -0.768
local terms energy: -77.680387
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -10.981
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: 5, replica: 2
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -189.815793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.815793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.815793 (E_RNA)
where:
Base-Base interactions energy: -116.216
where: short stacking energy: -70.355
Base-Backbone interact. energy: -0.120
local terms energy: -73.480018
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -18.436
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -15.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -107.324740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.324740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.324740 (E_RNA)
where:
Base-Base interactions energy: -45.841
where: short stacking energy: -19.631
Base-Backbone interact. energy: -0.462
local terms energy: -61.021964
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -2.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -97.623041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.623041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.623041 (E_RNA)
where:
Base-Base interactions energy: -39.673
where: short stacking energy: -37.219
Base-Backbone interact. energy: -0.991
local terms energy: -56.958488
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -2.593
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: 8, replica: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -88.820584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.820584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.820584 (E_RNA)
where:
Base-Base interactions energy: -31.737
where: short stacking energy: -31.498
Base-Backbone interact. energy: -0.440
local terms energy: -56.643798
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -2.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -79.929330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.929330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.929330 (E_RNA)
where:
Base-Base interactions energy: -29.464
where: short stacking energy: -23.462
Base-Backbone interact. energy: -0.130
local terms energy: -50.334691
where:
bonds (distance) C4'-P energy: -10.064
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -0.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -73.738645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.738645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.738645 (E_RNA)
where:
Base-Base interactions energy: -26.795
where: short stacking energy: -26.795
Base-Backbone interact. energy: -0.431
local terms energy: -46.513279
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -18.668
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: 3.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -242.210634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.210634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.210634 (E_RNA)
where:
Base-Base interactions energy: -152.632
where: short stacking energy: -81.870
Base-Backbone interact. energy: -0.156
local terms energy: -89.422615
where:
bonds (distance) C4'-P energy: -19.038
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -18.563
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -22.075
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: 6
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -218.842783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.842783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.842783 (E_RNA)
where:
Base-Base interactions energy: -135.116
where: short stacking energy: -66.714
Base-Backbone interact. energy: -0.131
local terms energy: -83.596255
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -18.537
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: -21.857
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: 4
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -209.182947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.182947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.182947 (E_RNA)
where:
Base-Base interactions energy: -128.529
where: short stacking energy: -73.501
Base-Backbone interact. energy: -0.000
local terms energy: -80.653418
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -9.992
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: 5
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -223.465608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.465608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.465608 (E_RNA)
where:
Base-Base interactions energy: -153.785
where: short stacking energy: -65.017
Base-Backbone interact. energy: -0.242
local terms energy: -69.437957
where:
bonds (distance) C4'-P energy: -15.111
bonds (distance) P-C4' energy: -19.940
flat angles C4'-P-C4' energy: -11.316
flat angles P-C4'-P energy: -7.728
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: 5, replica: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -188.040107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.040107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.040107 (E_RNA)
where:
Base-Base interactions energy: -113.974
where: short stacking energy: -63.894
Base-Backbone interact. energy: -0.002
local terms energy: -74.064363
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -17.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -101.457545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.457545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.457545 (E_RNA)
where:
Base-Base interactions energy: -39.357
where: short stacking energy: -39.291
Base-Backbone interact. energy: -0.189
local terms energy: -61.912182
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -8.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -94.372361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.372361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.372361 (E_RNA)
where:
Base-Base interactions energy: -44.402
where: short stacking energy: -32.871
Base-Backbone interact. energy: -0.078
local terms energy: -49.892635
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -1.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -96.909107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.909107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.909107 (E_RNA)
where:
Base-Base interactions energy: -37.763
where: short stacking energy: -34.249
Base-Backbone interact. energy: -0.128
local terms energy: -59.017718
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -13.667
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -6.767
tors. eta vs tors. theta energy: -6.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -81.400916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.400916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.400916 (E_RNA)
where:
Base-Base interactions energy: -24.639
where: short stacking energy: -24.639
Base-Backbone interact. energy: -0.148
local terms energy: -56.613745
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -11.549
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: 10, replica: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -81.812452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.812452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.812452 (E_RNA)
where:
Base-Base interactions energy: -28.449
where: short stacking energy: -28.062
Base-Backbone interact. energy: -0.093
local terms energy: -53.270357
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -9.681
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: 1, replica: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -233.230559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.230559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.230559 (E_RNA)
where:
Base-Base interactions energy: -149.190
where: short stacking energy: -74.862
Base-Backbone interact. energy: -0.019
local terms energy: -84.021405
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -18.015
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -12.532
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: 2, replica: 6
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -225.059357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.059357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.059357 (E_RNA)
where:
Base-Base interactions energy: -144.258
where: short stacking energy: -69.403
Base-Backbone interact. energy: -0.077
local terms energy: -80.724067
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -17.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -239.808319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.808319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.808319 (E_RNA)
where:
Base-Base interactions energy: -161.324
where: short stacking energy: -58.786
Base-Backbone interact. energy: -0.620
local terms energy: -77.864673
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -20.526
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -15.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -184.823811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.823811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.823811 (E_RNA)
where:
Base-Base interactions energy: -120.568
where: short stacking energy: -56.332
Base-Backbone interact. energy: -0.051
local terms energy: -64.204056
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -8.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -185.609373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.609373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.609373 (E_RNA)
where:
Base-Base interactions energy: -125.440
where: short stacking energy: -63.283
Base-Backbone interact. energy: -0.016
local terms energy: -60.152953
where:
bonds (distance) C4'-P energy: -9.359
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -3.125
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: 6, replica: 3
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -124.261766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.261766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.261766 (E_RNA)
where:
Base-Base interactions energy: -63.068
where: short stacking energy: -43.751
Base-Backbone interact. energy: -0.317
local terms energy: -60.876852
where:
bonds (distance) C4'-P energy: -12.026
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -7.525
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: 7, replica: 7
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -104.578379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.578379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.578379 (E_RNA)
where:
Base-Base interactions energy: -47.252
where: short stacking energy: -35.825
Base-Backbone interact. energy: -0.374
local terms energy: -56.951747
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -11.638
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -2.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -103.917013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.917013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.917013 (E_RNA)
where:
Base-Base interactions energy: -48.980
where: short stacking energy: -48.980
Base-Backbone interact. energy: -0.076
local terms energy: -54.861564
where:
bonds (distance) C4'-P energy: -14.291
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -4.361
tors. eta vs tors. theta energy: -8.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -91.694594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.694594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.694594 (E_RNA)
where:
Base-Base interactions energy: -27.470
where: short stacking energy: -27.470
Base-Backbone interact. energy: -0.141
local terms energy: -64.083277
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -18.602
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -3.526
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: 8
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -100.526582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.526582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.526582 (E_RNA)
where:
Base-Base interactions energy: -38.591
where: short stacking energy: -28.316
Base-Backbone interact. energy: -0.281
local terms energy: -61.654607
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -16.872
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -6.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -228.194292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.194292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.194292 (E_RNA)
where:
Base-Base interactions energy: -149.722
where: short stacking energy: -75.910
Base-Backbone interact. energy: -0.093
local terms energy: -78.379474
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -22.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -236.244920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.244920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.244920 (E_RNA)
where:
Base-Base interactions energy: -167.170
where: short stacking energy: -67.545
Base-Backbone interact. energy: 0.162
local terms energy: -69.236642
where:
bonds (distance) C4'-P energy: -13.525
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -14.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -215.497658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.497658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.497658 (E_RNA)
where:
Base-Base interactions energy: -135.738
where: short stacking energy: -73.428
Base-Backbone interact. energy: -0.081
local terms energy: -79.678881
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -20.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -192.007820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.007820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.007820 (E_RNA)
where:
Base-Base interactions energy: -124.060
where: short stacking energy: -63.579
Base-Backbone interact. energy: -0.107
local terms energy: -67.840237
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -12.407
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -12.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -167.751514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.751514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.751514 (E_RNA)
where:
Base-Base interactions energy: -101.151
where: short stacking energy: -50.274
Base-Backbone interact. energy: -0.209
local terms energy: -66.391403
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -10.415
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: 105
Temperature: 1.150000
Total energy: -105.550898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.550898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.550898 (E_RNA)
where:
Base-Base interactions energy: -42.190
where: short stacking energy: -33.039
Base-Backbone interact. energy: -0.251
local terms energy: -63.109887
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -7.566
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: 3
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -103.421675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.421675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.421675 (E_RNA)
where:
Base-Base interactions energy: -41.031
where: short stacking energy: -41.031
Base-Backbone interact. energy: -0.256
local terms energy: -62.134790
where:
bonds (distance) C4'-P energy: -10.105
bonds (distance) P-C4' energy: -18.646
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -7.086
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: 9
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -81.445932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.445932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.445932 (E_RNA)
where:
Base-Base interactions energy: -29.507
where: short stacking energy: -27.706
Base-Backbone interact. energy: -0.173
local terms energy: -51.765352
where:
bonds (distance) C4'-P energy: -8.598
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -0.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -91.312987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.312987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.312987 (E_RNA)
where:
Base-Base interactions energy: -42.515
where: short stacking energy: -42.515
Base-Backbone interact. energy: -0.047
local terms energy: -48.750492
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -11.655
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -1.215
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: 10, replica: 8
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -85.043542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.043542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.043542 (E_RNA)
where:
Base-Base interactions energy: -30.273
where: short stacking energy: -29.141
Base-Backbone interact. energy: -0.914
local terms energy: -53.855751
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: 1.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -246.918077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.918077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.918077 (E_RNA)
where:
Base-Base interactions energy: -174.904
where: short stacking energy: -69.052
Base-Backbone interact. energy: -0.259
local terms energy: -71.755157
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -11.195
flat angles C4'-P-C4' energy: -19.166
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -14.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -228.484700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.484700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.484700 (E_RNA)
where:
Base-Base interactions energy: -152.752
where: short stacking energy: -74.010
Base-Backbone interact. energy: 0.132
local terms energy: -75.864417
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -19.884
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -21.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -223.814482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.814482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.814482 (E_RNA)
where:
Base-Base interactions energy: -144.846
where: short stacking energy: -65.737
Base-Backbone interact. energy: -0.097
local terms energy: -78.871148
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -12.253
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: 4, replica: 4
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -187.773105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.773105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.773105 (E_RNA)
where:
Base-Base interactions energy: -120.257
where: short stacking energy: -68.040
Base-Backbone interact. energy: -0.035
local terms energy: -67.481468
where:
bonds (distance) C4'-P energy: -10.084
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -15.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -110.143697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.143697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.143697 (E_RNA)
where:
Base-Base interactions energy: -49.528
where: short stacking energy: -32.505
Base-Backbone interact. energy: -0.174
local terms energy: -60.441570
where:
bonds (distance) C4'-P energy: -11.392
bonds (distance) P-C4' energy: -19.296
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -2.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -156.489833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.489833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.489833 (E_RNA)
where:
Base-Base interactions energy: -90.506
where: short stacking energy: -50.570
Base-Backbone interact. energy: -0.150
local terms energy: -65.833765
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -5.312
tors. eta vs tors. theta energy: -12.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -123.244888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.244888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.244888 (E_RNA)
where:
Base-Base interactions energy: -64.536
where: short stacking energy: -50.288
Base-Backbone interact. energy: -0.377
local terms energy: -58.332234
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -4.695
tors. eta vs tors. theta energy: -8.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -87.153089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.153089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.153089 (E_RNA)
where:
Base-Base interactions energy: -40.995
where: short stacking energy: -35.375
Base-Backbone interact. energy: -0.234
local terms energy: -45.924104
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -8.982
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -1.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -93.510741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.510741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.510741 (E_RNA)
where:
Base-Base interactions energy: -34.443
where: short stacking energy: -33.824
Base-Backbone interact. energy: -0.049
local terms energy: -59.018132
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -3.671
tors. eta vs tors. theta energy: -10.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -87.460457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.460457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.460457 (E_RNA)
where:
Base-Base interactions energy: -37.766
where: short stacking energy: -35.586
Base-Backbone interact. energy: -0.293
local terms energy: -49.401079
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -11.840
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: 0.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -241.052752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.052752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.052752 (E_RNA)
where:
Base-Base interactions energy: -161.600
where: short stacking energy: -67.543
Base-Backbone interact. energy: -0.366
local terms energy: -79.086425
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -20.038
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -14.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -211.501103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.501103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.501103 (E_RNA)
where:
Base-Base interactions energy: -130.513
where: short stacking energy: -66.488
Base-Backbone interact. energy: -0.015
local terms energy: -80.973210
where:
bonds (distance) C4'-P energy: -16.899
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -13.178
tors. eta vs tors. theta energy: -15.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -226.942193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.942193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.942193 (E_RNA)
where:
Base-Base interactions energy: -140.357
where: short stacking energy: -70.094
Base-Backbone interact. energy: -0.244
local terms energy: -86.340333
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -14.442
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: 4, replica: 4
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -199.474675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.474675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.474675 (E_RNA)
where:
Base-Base interactions energy: -124.647
where: short stacking energy: -69.434
Base-Backbone interact. energy: -0.023
local terms energy: -74.804817
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -18.992
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -14.316
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: 5, replica: 7
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -114.887991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.887991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.887991 (E_RNA)
where:
Base-Base interactions energy: -63.681
where: short stacking energy: -38.379
Base-Backbone interact. energy: 0.088
local terms energy: -51.294886
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -7.706
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -6.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -155.895942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.895942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.895942 (E_RNA)
where:
Base-Base interactions energy: -90.579
where: short stacking energy: -54.814
Base-Backbone interact. energy: -0.005
local terms energy: -65.311347
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -19.155
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -7.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -98.896995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.896995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.896995 (E_RNA)
where:
Base-Base interactions energy: -35.782
where: short stacking energy: -33.534
Base-Backbone interact. energy: -0.219
local terms energy: -62.896094
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -6.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -99.708730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.708730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.708730 (E_RNA)
where:
Base-Base interactions energy: -46.212
where: short stacking energy: -46.212
Base-Backbone interact. energy: -0.113
local terms energy: -53.383284
where:
bonds (distance) C4'-P energy: -10.859
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -6.597
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: 9, replica: 9
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -93.160275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.160275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.160275 (E_RNA)
where:
Base-Base interactions energy: -39.432
where: short stacking energy: -23.743
Base-Backbone interact. energy: -0.585
local terms energy: -53.143517
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: 0.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -75.456081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.456081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.456081 (E_RNA)
where:
Base-Base interactions energy: -30.527
where: short stacking energy: -25.918
Base-Backbone interact. energy: -0.448
local terms energy: -44.481118
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -4.525
tors. eta vs tors. theta energy: 1.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -243.132924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.132924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.132924 (E_RNA)
where:
Base-Base interactions energy: -166.040
where: short stacking energy: -70.168
Base-Backbone interact. energy: -0.058
local terms energy: -77.034940
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -19.127
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -18.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -218.242277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.242277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.242277 (E_RNA)
where:
Base-Base interactions energy: -142.579
where: short stacking energy: -69.020
Base-Backbone interact. energy: -0.244
local terms energy: -75.418839
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -8.738
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: 3, replica: 4
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -200.194382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.194382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.194382 (E_RNA)
where:
Base-Base interactions energy: -138.763
where: short stacking energy: -60.691
Base-Backbone interact. energy: 0.419
local terms energy: -61.850090
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -10.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -220.399609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.399609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.399609 (E_RNA)
where:
Base-Base interactions energy: -140.739
where: short stacking energy: -74.517
Base-Backbone interact. energy: -0.082
local terms energy: -79.578467
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -19.464
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -18.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -187.363651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.363651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.363651 (E_RNA)
where:
Base-Base interactions energy: -112.901
where: short stacking energy: -62.288
Base-Backbone interact. energy: -0.213
local terms energy: -74.249403
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -6.929
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: 7
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -113.265079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.265079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.265079 (E_RNA)
where:
Base-Base interactions energy: -56.370
where: short stacking energy: -31.212
Base-Backbone interact. energy: -0.148
local terms energy: -56.747253
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -3.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -95.701140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.701140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.701140 (E_RNA)
where:
Base-Base interactions energy: -38.427
where: short stacking energy: -25.429
Base-Backbone interact. energy: -0.977
local terms energy: -56.297114
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -0.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -88.674065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.674065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.674065 (E_RNA)
where:
Base-Base interactions energy: -39.146
where: short stacking energy: -36.479
Base-Backbone interact. energy: -0.169
local terms energy: -49.359316
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -5.682
tors. eta vs tors. theta energy: -1.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -88.595090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.595090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.595090 (E_RNA)
where:
Base-Base interactions energy: -40.659
where: short stacking energy: -33.707
Base-Backbone interact. energy: -0.053
local terms energy: -47.883407
where:
bonds (distance) C4'-P energy: -10.407
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -10.690
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -0.870
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: 10, replica: 9
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -78.484626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.484626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.484626 (E_RNA)
where:
Base-Base interactions energy: -33.748
where: short stacking energy: -32.643
Base-Backbone interact. energy: -0.050
local terms energy: -44.687134
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -9.342
flat angles P-C4'-P energy: -5.119
tors. eta vs tors. theta energy: 0.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -245.457052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.457052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.457052 (E_RNA)
where:
Base-Base interactions energy: -166.080
where: short stacking energy: -75.027
Base-Backbone interact. energy: -0.106
local terms energy: -79.271060
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: -16.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -216.699670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.699670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.699670 (E_RNA)
where:
Base-Base interactions energy: -138.215
where: short stacking energy: -68.731
Base-Backbone interact. energy: -0.895
local terms energy: -77.589794
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -19.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -200.804093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.804093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.804093 (E_RNA)
where:
Base-Base interactions energy: -128.599
where: short stacking energy: -58.874
Base-Backbone interact. energy: -0.100
local terms energy: -72.104758
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -17.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -189.384932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.384932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.384932 (E_RNA)
where:
Base-Base interactions energy: -116.628
where: short stacking energy: -57.624
Base-Backbone interact. energy: -0.165
local terms energy: -72.591879
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -14.114
tors. eta vs tors. theta energy: -14.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -178.937604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.937604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.937604 (E_RNA)
where:
Base-Base interactions energy: -116.142
where: short stacking energy: -64.267
Base-Backbone interact. energy: -0.002
local terms energy: -62.793418
where:
bonds (distance) C4'-P energy: -8.681
bonds (distance) P-C4' energy: -11.569
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -9.912
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: 8
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -106.038549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.038549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.038549 (E_RNA)
where:
Base-Base interactions energy: -43.622
where: short stacking energy: -28.618
Base-Backbone interact. energy: 0.083
local terms energy: -62.498696
where:
bonds (distance) C4'-P energy: -16.630
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -7.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -98.959414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.959414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.959414 (E_RNA)
where:
Base-Base interactions energy: -35.957
where: short stacking energy: -35.957
Base-Backbone interact. energy: -0.030
local terms energy: -62.972164
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -6.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -97.528010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.528010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.528010 (E_RNA)
where:
Base-Base interactions energy: -39.885
where: short stacking energy: -26.997
Base-Backbone interact. energy: -1.262
local terms energy: -56.380945
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -18.064
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -1.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -83.679892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.679892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.679892 (E_RNA)
where:
Base-Base interactions energy: -30.558
where: short stacking energy: -22.426
Base-Backbone interact. energy: -0.135
local terms energy: -52.985995
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: -3.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -88.005549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.005549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.005549 (E_RNA)
where:
Base-Base interactions energy: -35.771
where: short stacking energy: -33.453
Base-Backbone interact. energy: -0.359
local terms energy: -51.875373
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -8.428
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -4.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -248.933739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.933739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.933739 (E_RNA)
where:
Base-Base interactions energy: -170.042
where: short stacking energy: -79.198
Base-Backbone interact. energy: 0.184
local terms energy: -79.076360
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -14.366
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: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -202.806682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.806682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.806682 (E_RNA)
where:
Base-Base interactions energy: -137.368
where: short stacking energy: -64.809
Base-Backbone interact. energy: -0.231
local terms energy: -65.207482
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -4.335
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -16.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -211.978134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.978134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.978134 (E_RNA)
where:
Base-Base interactions energy: -139.620
where: short stacking energy: -70.596
Base-Backbone interact. energy: -0.031
local terms energy: -72.327117
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -12.367
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: 4, replica: 2
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -172.431734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.431734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.431734 (E_RNA)
where:
Base-Base interactions energy: -97.232
where: short stacking energy: -54.588
Base-Backbone interact. energy: -0.303
local terms energy: -74.897156
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -19.293
flat angles P-C4'-P energy: -15.582
tors. eta vs tors. theta energy: -12.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -156.398044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.398044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.398044 (E_RNA)
where:
Base-Base interactions energy: -98.397
where: short stacking energy: -52.747
Base-Backbone interact. energy: -0.368
local terms energy: -57.633116
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -11.009
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: 6, replica: 8
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -103.902288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.902288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.902288 (E_RNA)
where:
Base-Base interactions energy: -44.115
where: short stacking energy: -36.628
Base-Backbone interact. energy: -0.048
local terms energy: -59.739031
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -11.257
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: 7, replica: 7
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -112.173796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.173796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.173796 (E_RNA)
where:
Base-Base interactions energy: -57.240
where: short stacking energy: -22.730
Base-Backbone interact. energy: -0.161
local terms energy: -54.773372
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -0.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -103.616822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.616822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.616822 (E_RNA)
where:
Base-Base interactions energy: -59.266
where: short stacking energy: -26.013
Base-Backbone interact. energy: -0.207
local terms energy: -44.143256
where:
bonds (distance) C4'-P energy: -7.663
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -9.853
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: 1.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -86.755462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.755462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.755462 (E_RNA)
where:
Base-Base interactions energy: -35.303
where: short stacking energy: -30.402
Base-Backbone interact. energy: -0.227
local terms energy: -51.225216
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -5.748
tors. eta vs tors. theta energy: -6.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -80.185752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.185752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.185752 (E_RNA)
where:
Base-Base interactions energy: -31.687
where: short stacking energy: -26.821
Base-Backbone interact. energy: -0.038
local terms energy: -48.461498
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -5.834
tors. eta vs tors. theta energy: -1.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -242.742169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.742169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.742169 (E_RNA)
where:
Base-Base interactions energy: -166.561
where: short stacking energy: -65.386
Base-Backbone interact. energy: -1.200
local terms energy: -74.981093
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -14.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -211.098435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.098435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.098435 (E_RNA)
where:
Base-Base interactions energy: -130.108
where: short stacking energy: -73.863
Base-Backbone interact. energy: -0.151
local terms energy: -80.838840
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -20.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -213.498234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.498234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.498234 (E_RNA)
where:
Base-Base interactions energy: -139.621
where: short stacking energy: -71.712
Base-Backbone interact. energy: -0.498
local terms energy: -73.379282
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -20.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -183.442099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.442099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.442099 (E_RNA)
where:
Base-Base interactions energy: -113.737
where: short stacking energy: -54.661
Base-Backbone interact. energy: -0.305
local terms energy: -69.400541
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -11.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -159.394629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.394629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.394629 (E_RNA)
where:
Base-Base interactions energy: -91.858
where: short stacking energy: -50.831
Base-Backbone interact. energy: -0.023
local terms energy: -67.513223
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -13.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -116.580099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.580099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.580099 (E_RNA)
where:
Base-Base interactions energy: -54.147
where: short stacking energy: -35.536
Base-Backbone interact. energy: -1.190
local terms energy: -61.243936
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -15.260
flat angles C4'-P-C4' energy: -18.738
flat angles P-C4'-P energy: -6.216
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: 7, replica: 8
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -114.574899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.574899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.574899 (E_RNA)
where:
Base-Base interactions energy: -52.351
where: short stacking energy: -52.199
Base-Backbone interact. energy: -0.115
local terms energy: -62.109284
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -9.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -85.389903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.389903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.389903 (E_RNA)
where:
Base-Base interactions energy: -32.444
where: short stacking energy: -31.890
Base-Backbone interact. energy: -0.201
local terms energy: -52.744447
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -1.273
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: 111
Temperature: 1.300000
Total energy: -91.127093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.127093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.127093 (E_RNA)
where:
Base-Base interactions energy: -45.687
where: short stacking energy: -22.399
Base-Backbone interact. energy: 1.073
local terms energy: -46.512193
where:
bonds (distance) C4'-P energy: -11.637
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -6.816
tors. eta vs tors. theta energy: 4.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -93.730049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.730049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.730049 (E_RNA)
where:
Base-Base interactions energy: -39.260
where: short stacking energy: -29.188
Base-Backbone interact. energy: -0.480
local terms energy: -53.990171
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: 2.096
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: 1, replica: 5
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -243.540385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.540385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.540385 (E_RNA)
where:
Base-Base interactions energy: -156.678
where: short stacking energy: -63.239
Base-Backbone interact. energy: -0.126
local terms energy: -86.735886
where:
bonds (distance) C4'-P energy: -20.099
bonds (distance) P-C4' energy: -19.582
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -15.490
tors. eta vs tors. theta energy: -14.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -213.757578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.757578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.757578 (E_RNA)
where:
Base-Base interactions energy: -132.193
where: short stacking energy: -66.789
Base-Backbone interact. energy: -0.409
local terms energy: -81.155606
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -12.804
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: 2
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -193.963261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.963261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.963261 (E_RNA)
where:
Base-Base interactions energy: -118.743
where: short stacking energy: -63.694
Base-Backbone interact. energy: -0.013
local terms energy: -75.207677
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -19.458
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -13.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -201.824793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.824793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.824793 (E_RNA)
where:
Base-Base interactions energy: -130.610
where: short stacking energy: -55.699
Base-Backbone interact. energy: -0.334
local terms energy: -70.880744
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -5.763
tors. eta vs tors. theta energy: -14.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -174.760366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.760366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.760366 (E_RNA)
where:
Base-Base interactions energy: -102.893
where: short stacking energy: -60.073
Base-Backbone interact. energy: -0.298
local terms energy: -71.568921
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -10.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -117.866941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.866941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.866941 (E_RNA)
where:
Base-Base interactions energy: -49.573
where: short stacking energy: -36.543
Base-Backbone interact. energy: -0.218
local terms energy: -68.076017
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -18.590
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -6.923
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: 10
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -97.217901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.217901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.217901 (E_RNA)
where:
Base-Base interactions energy: -40.421
where: short stacking energy: -40.421
Base-Backbone interact. energy: -0.024
local terms energy: -56.773018
where:
bonds (distance) C4'-P energy: -12.755
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -7.360
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: 8, replica: 8
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -92.198337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.198337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.198337 (E_RNA)
where:
Base-Base interactions energy: -36.008
where: short stacking energy: -27.520
Base-Backbone interact. energy: -0.069
local terms energy: -56.121215
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -10.766
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: 9, replica: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -78.951870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.951870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.951870 (E_RNA)
where:
Base-Base interactions energy: -28.686
where: short stacking energy: -18.427
Base-Backbone interact. energy: -0.203
local terms energy: -50.062556
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -9.168
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -0.378
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: 3
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -81.310165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.310165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.310165 (E_RNA)
where:
Base-Base interactions energy: -31.816
where: short stacking energy: -30.533
Base-Backbone interact. energy: -1.239
local terms energy: -48.255654
where:
bonds (distance) C4'-P energy: -8.763
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -2.809
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: 1, replica: 5
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -244.769233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.769233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.769233 (E_RNA)
where:
Base-Base interactions energy: -165.596
where: short stacking energy: -63.695
Base-Backbone interact. energy: 0.769
local terms energy: -79.942749
where:
bonds (distance) C4'-P energy: -18.373
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -16.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -199.734657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.734657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.734657 (E_RNA)
where:
Base-Base interactions energy: -133.228
where: short stacking energy: -68.265
Base-Backbone interact. energy: -0.024
local terms energy: -66.482705
where:
bonds (distance) C4'-P energy: -16.829
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -7.011
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: 6
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -220.806892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.806892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.806892 (E_RNA)
where:
Base-Base interactions energy: -146.493
where: short stacking energy: -55.846
Base-Backbone interact. energy: -0.562
local terms energy: -73.752077
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -18.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -190.895239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.895239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.895239 (E_RNA)
where:
Base-Base interactions energy: -115.382
where: short stacking energy: -62.940
Base-Backbone interact. energy: -0.191
local terms energy: -75.322535
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -16.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -156.608099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.608099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.608099 (E_RNA)
where:
Base-Base interactions energy: -92.251
where: short stacking energy: -48.917
Base-Backbone interact. energy: -0.102
local terms energy: -64.255137
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -11.710
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: 10
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -105.572122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.572122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.572122 (E_RNA)
where:
Base-Base interactions energy: -44.522
where: short stacking energy: -41.686
Base-Backbone interact. energy: -0.081
local terms energy: -60.969093
where:
bonds (distance) C4'-P energy: -16.705
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -2.887
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: 7, replica: 7
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -106.031015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.031015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.031015 (E_RNA)
where:
Base-Base interactions energy: -46.751
where: short stacking energy: -36.972
Base-Backbone interact. energy: -0.088
local terms energy: -59.191855
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -5.162
tors. eta vs tors. theta energy: -10.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -91.839616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.839616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.839616 (E_RNA)
where:
Base-Base interactions energy: -50.431
where: short stacking energy: -30.364
Base-Backbone interact. energy: -0.175
local terms energy: -41.233978
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: 0.179
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: 8
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -95.664884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.664884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.664884 (E_RNA)
where:
Base-Base interactions energy: -36.717
where: short stacking energy: -34.750
Base-Backbone interact. energy: -0.351
local terms energy: -58.596159
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -4.243
tors. eta vs tors. theta energy: -6.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -88.098400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.098400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.098400 (E_RNA)
where:
Base-Base interactions energy: -38.503
where: short stacking energy: -31.263
Base-Backbone interact. energy: -0.457
local terms energy: -49.138592
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -19.102
flat angles C4'-P-C4' energy: -9.048
flat angles P-C4'-P energy: -4.608
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: 5
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -245.303419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.303419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.303419 (E_RNA)
where:
Base-Base interactions energy: -171.656
where: short stacking energy: -71.485
Base-Backbone interact. energy: -0.517
local terms energy: -73.130916
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -17.658
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -16.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -197.904355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.904355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.904355 (E_RNA)
where:
Base-Base interactions energy: -124.367
where: short stacking energy: -58.676
Base-Backbone interact. energy: -0.059
local terms energy: -73.477631
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -17.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -205.893843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.893843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.893843 (E_RNA)
where:
Base-Base interactions energy: -130.461
where: short stacking energy: -60.665
Base-Backbone interact. energy: -0.152
local terms energy: -75.281346
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -18.578
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -14.643
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: 114
Temperature: 1.050000
Total energy: -212.384331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.384331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.384331 (E_RNA)
where:
Base-Base interactions energy: -144.135
where: short stacking energy: -65.179
Base-Backbone interact. energy: -0.244
local terms energy: -68.005804
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -9.396
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -18.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -174.269412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.269412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.269412 (E_RNA)
where:
Base-Base interactions energy: -94.939
where: short stacking energy: -58.131
Base-Backbone interact. energy: -0.009
local terms energy: -79.322014
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -18.619
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -13.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -94.857264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.857264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.857264 (E_RNA)
where:
Base-Base interactions energy: -35.113
where: short stacking energy: -35.113
Base-Backbone interact. energy: -0.038
local terms energy: -59.705725
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -4.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -93.611760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.611760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.611760 (E_RNA)
where:
Base-Base interactions energy: -35.028
where: short stacking energy: -35.028
Base-Backbone interact. energy: 1.400
local terms energy: -59.984184
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -6.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -83.777243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.777243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.777243 (E_RNA)
where:
Base-Base interactions energy: -38.154
where: short stacking energy: -32.898
Base-Backbone interact. energy: -0.136
local terms energy: -45.487030
where:
bonds (distance) C4'-P energy: -7.249
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: 0.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -96.743424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.743424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.743424 (E_RNA)
where:
Base-Base interactions energy: -53.274
where: short stacking energy: -21.059
Base-Backbone interact. energy: 0.411
local terms energy: -43.880309
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: 2.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -87.385964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.385964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.385964 (E_RNA)
where:
Base-Base interactions energy: -30.687
where: short stacking energy: -25.876
Base-Backbone interact. energy: -0.211
local terms energy: -56.487612
where:
bonds (distance) C4'-P energy: -9.301
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -3.998
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: 5
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -245.179654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.179654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.179654 (E_RNA)
where:
Base-Base interactions energy: -162.744
where: short stacking energy: -76.328
Base-Backbone interact. energy: -0.205
local terms energy: -82.230630
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -19.286
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -15.889
tors. eta vs tors. theta energy: -14.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -219.091130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.091130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.091130 (E_RNA)
where:
Base-Base interactions energy: -149.416
where: short stacking energy: -55.415
Base-Backbone interact. energy: -0.046
local terms energy: -69.628413
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -13.002
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -13.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -203.422100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.422100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.422100 (E_RNA)
where:
Base-Base interactions energy: -126.449
where: short stacking energy: -61.487
Base-Backbone interact. energy: -0.054
local terms energy: -76.919147
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -15.013
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: 4
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -205.499379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.499379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.499379 (E_RNA)
where:
Base-Base interactions energy: -124.621
where: short stacking energy: -69.416
Base-Backbone interact. energy: -0.778
local terms energy: -80.100509
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -18.919
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -19.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -205.464927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.464927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.464927 (E_RNA)
where:
Base-Base interactions energy: -133.211
where: short stacking energy: -56.698
Base-Backbone interact. energy: -0.699
local terms energy: -71.554498
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -15.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -121.572999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.572999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.572999 (E_RNA)
where:
Base-Base interactions energy: -60.058
where: short stacking energy: -30.708
Base-Backbone interact. energy: -0.201
local terms energy: -61.314088
where:
bonds (distance) C4'-P energy: -7.928
bonds (distance) P-C4' energy: -18.708
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -6.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -99.383963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.383963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.383963 (E_RNA)
where:
Base-Base interactions energy: -47.262
where: short stacking energy: -41.461
Base-Backbone interact. energy: -0.355
local terms energy: -51.766910
where:
bonds (distance) C4'-P energy: -10.566
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -6.147
tors. eta vs tors. theta energy: -7.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -93.095029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.095029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.095029 (E_RNA)
where:
Base-Base interactions energy: -34.285
where: short stacking energy: -31.626
Base-Backbone interact. energy: 0.573
local terms energy: -59.383435
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -10.614
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: 9, replica: 7
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -80.266250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.266250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.266250 (E_RNA)
where:
Base-Base interactions energy: -21.373
where: short stacking energy: -22.173
Base-Backbone interact. energy: -0.157
local terms energy: -58.736604
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -0.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -74.830195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.830195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.830195 (E_RNA)
where:
Base-Base interactions energy: -17.913
where: short stacking energy: -17.913
Base-Backbone interact. energy: -0.074
local terms energy: -56.843075
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -1.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -224.330807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.330807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.330807 (E_RNA)
where:
Base-Base interactions energy: -148.889
where: short stacking energy: -71.104
Base-Backbone interact. energy: -0.005
local terms energy: -75.436188
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -12.095
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: 2, replica: 5
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -242.605690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.605690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.605690 (E_RNA)
where:
Base-Base interactions energy: -167.423
where: short stacking energy: -68.567
Base-Backbone interact. energy: 0.673
local terms energy: -75.855579
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -10.785
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: 3, replica: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -202.858359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.858359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.858359 (E_RNA)
where:
Base-Base interactions energy: -130.051
where: short stacking energy: -72.229
Base-Backbone interact. energy: -1.092
local terms energy: -71.715645
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -16.195
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -17.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -208.488297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.488297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.488297 (E_RNA)
where:
Base-Base interactions energy: -134.377
where: short stacking energy: -76.183
Base-Backbone interact. energy: -0.895
local terms energy: -73.216697
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -21.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -193.077931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.077931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.077931 (E_RNA)
where:
Base-Base interactions energy: -125.006
where: short stacking energy: -58.243
Base-Backbone interact. energy: -1.007
local terms energy: -67.065042
where:
bonds (distance) C4'-P energy: -17.573
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -11.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -122.787753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.787753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.787753 (E_RNA)
where:
Base-Base interactions energy: -74.637
where: short stacking energy: -34.195
Base-Backbone interact. energy: -1.082
local terms energy: -47.067823
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -13.809
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -3.362
tors. eta vs tors. theta energy: -0.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -98.994860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.994860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.994860 (E_RNA)
where:
Base-Base interactions energy: -49.866
where: short stacking energy: -22.770
Base-Backbone interact. energy: -0.707
local terms energy: -48.422510
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -19.997
flat angles C4'-P-C4' energy: -8.286
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -0.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -81.015327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.015327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.015327 (E_RNA)
where:
Base-Base interactions energy: -28.686
where: short stacking energy: -24.744
Base-Backbone interact. energy: 0.417
local terms energy: -52.746075
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -19.238
flat angles C4'-P-C4' energy: -9.678
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -2.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -80.979297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.979297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.979297 (E_RNA)
where:
Base-Base interactions energy: -31.276
where: short stacking energy: -25.118
Base-Backbone interact. energy: -1.084
local terms energy: -48.619018
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -14.608
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -1.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -76.453357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.453357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.453357 (E_RNA)
where:
Base-Base interactions energy: -29.108
where: short stacking energy: -25.057
Base-Backbone interact. energy: -0.310
local terms energy: -47.035191
where:
bonds (distance) C4'-P energy: -10.920
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -2.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -225.472509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.472509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.472509 (E_RNA)
where:
Base-Base interactions energy: -148.111
where: short stacking energy: -77.279
Base-Backbone interact. energy: -0.049
local terms energy: -77.312720
where:
bonds (distance) C4'-P energy: -9.760
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -21.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -240.880334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.880334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.880334 (E_RNA)
where:
Base-Base interactions energy: -166.656
where: short stacking energy: -72.692
Base-Backbone interact. energy: -0.600
local terms energy: -73.624148
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -18.580
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -14.026
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: 3, replica: 2
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -211.007510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.007510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.007510 (E_RNA)
where:
Base-Base interactions energy: -141.861
where: short stacking energy: -67.604
Base-Backbone interact. energy: -0.123
local terms energy: -69.023927
where:
bonds (distance) C4'-P energy: -13.753
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -14.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -201.182661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.182661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.182661 (E_RNA)
where:
Base-Base interactions energy: -126.724
where: short stacking energy: -65.483
Base-Backbone interact. energy: -0.085
local terms energy: -74.373786
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -17.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -216.629277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.629277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.629277 (E_RNA)
where:
Base-Base interactions energy: -139.305
where: short stacking energy: -63.324
Base-Backbone interact. energy: -0.186
local terms energy: -77.138102
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -20.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -118.252357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.252357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.252357 (E_RNA)
where:
Base-Base interactions energy: -61.724
where: short stacking energy: -44.121
Base-Backbone interact. energy: 0.701
local terms energy: -57.229396
where:
bonds (distance) C4'-P energy: -17.959
bonds (distance) P-C4' energy: -12.259
flat angles C4'-P-C4' energy: -11.055
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -5.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -101.260722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.260722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.260722 (E_RNA)
where:
Base-Base interactions energy: -44.785
where: short stacking energy: -23.856
Base-Backbone interact. energy: -0.198
local terms energy: -56.278224
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -3.309
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: 8, replica: 7
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -84.023191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.023191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.023191 (E_RNA)
where:
Base-Base interactions energy: -32.183
where: short stacking energy: -26.187
Base-Backbone interact. energy: -0.241
local terms energy: -51.599551
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -2.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -89.044124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.044124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.044124 (E_RNA)
where:
Base-Base interactions energy: -33.373
where: short stacking energy: -20.394
Base-Backbone interact. energy: -0.941
local terms energy: -54.730100
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -9.840
flat angles P-C4'-P energy: -7.185
tors. eta vs tors. theta energy: -3.947
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: 10, replica: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -87.851369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.851369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.851369 (E_RNA)
where:
Base-Base interactions energy: -30.303
where: short stacking energy: -29.574
Base-Backbone interact. energy: -0.138
local terms energy: -57.410079
where:
bonds (distance) C4'-P energy: -10.354
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -8.821
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: 5
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -242.733731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.733731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.733731 (E_RNA)
where:
Base-Base interactions energy: -166.840
where: short stacking energy: -71.553
Base-Backbone interact. energy: -0.711
local terms energy: -75.183401
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -18.826
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -12.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -224.989291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.989291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.989291 (E_RNA)
where:
Base-Base interactions energy: -148.321
where: short stacking energy: -74.945
Base-Backbone interact. energy: -0.204
local terms energy: -76.463962
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -20.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -222.283074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.283074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.283074 (E_RNA)
where:
Base-Base interactions energy: -143.658
where: short stacking energy: -72.685
Base-Backbone interact. energy: -0.006
local terms energy: -78.618755
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -18.175
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -18.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -168.805794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.805794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.805794 (E_RNA)
where:
Base-Base interactions energy: -105.853
where: short stacking energy: -56.714
Base-Backbone interact. energy: -0.137
local terms energy: -62.815960
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -18.856
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -5.715
tors. eta vs tors. theta energy: -9.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -213.605981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.605981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.605981 (E_RNA)
where:
Base-Base interactions energy: -141.286
where: short stacking energy: -62.113
Base-Backbone interact. energy: -0.484
local terms energy: -71.835880
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -17.540
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -11.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -88.994952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.994952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.994952 (E_RNA)
where:
Base-Base interactions energy: -37.888
where: short stacking energy: -30.282
Base-Backbone interact. energy: -0.095
local terms energy: -51.012118
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -10.535
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -5.334
tors. eta vs tors. theta energy: -5.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -100.654047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.654047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.654047 (E_RNA)
where:
Base-Base interactions energy: -44.623
where: short stacking energy: -33.541
Base-Backbone interact. energy: -0.090
local terms energy: -55.940737
where:
bonds (distance) C4'-P energy: -13.861
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -5.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -113.096848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.096848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.096848 (E_RNA)
where:
Base-Base interactions energy: -58.015
where: short stacking energy: -33.643
Base-Backbone interact. energy: -0.170
local terms energy: -54.911931
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -85.016483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.016483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.016483 (E_RNA)
where:
Base-Base interactions energy: -35.168
where: short stacking energy: -30.750
Base-Backbone interact. energy: -0.936
local terms energy: -48.912423
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: 1.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -86.888880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.888880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.888880 (E_RNA)
where:
Base-Base interactions energy: -30.064
where: short stacking energy: -26.875
Base-Backbone interact. energy: -0.432
local terms energy: -56.393162
where:
bonds (distance) C4'-P energy: -6.442
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -3.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -237.685604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.685604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.685604 (E_RNA)
where:
Base-Base interactions energy: -164.120
where: short stacking energy: -62.735
Base-Backbone interact. energy: -1.394
local terms energy: -72.171635
where:
bonds (distance) C4'-P energy: -18.434
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -9.667
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: 2, replica: 6
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -228.503926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.503926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.503926 (E_RNA)
where:
Base-Base interactions energy: -146.183
where: short stacking energy: -66.345
Base-Backbone interact. energy: -0.041
local terms energy: -82.279513
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -17.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -209.385067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.385067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.385067 (E_RNA)
where:
Base-Base interactions energy: -130.268
where: short stacking energy: -58.970
Base-Backbone interact. energy: -0.019
local terms energy: -79.098666
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -10.396
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: 4, replica: 1
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -227.455468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.455468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.455468 (E_RNA)
where:
Base-Base interactions energy: -141.521
where: short stacking energy: -72.505
Base-Backbone interact. energy: -0.087
local terms energy: -85.847770
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: -21.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -193.721119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.721119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.721119 (E_RNA)
where:
Base-Base interactions energy: -127.964
where: short stacking energy: -62.252
Base-Backbone interact. energy: -0.670
local terms energy: -65.086537
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -15.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -96.879081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.879081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.879081 (E_RNA)
where:
Base-Base interactions energy: -47.287
where: short stacking energy: -46.892
Base-Backbone interact. energy: -0.465
local terms energy: -49.127167
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -9.433
flat angles P-C4'-P energy: -5.471
tors. eta vs tors. theta energy: -3.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -102.838515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.838515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.838515 (E_RNA)
where:
Base-Base interactions energy: -44.283
where: short stacking energy: -31.137
Base-Backbone interact. energy: 2.855
local terms energy: -61.410197
where:
bonds (distance) C4'-P energy: -17.873
bonds (distance) P-C4' energy: -16.345
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -3.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -100.758247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.758247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.758247 (E_RNA)
where:
Base-Base interactions energy: -51.599
where: short stacking energy: -51.122
Base-Backbone interact. energy: -0.091
local terms energy: -49.068694
where:
bonds (distance) C4'-P energy: -8.301
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -3.931
tors. eta vs tors. theta energy: -6.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -119.925092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.925092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.925092 (E_RNA)
where:
Base-Base interactions energy: -59.289
where: short stacking energy: -35.371
Base-Backbone interact. energy: -0.365
local terms energy: -60.271509
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -9.704
flat angles P-C4'-P energy: -14.177
tors. eta vs tors. theta energy: -4.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -95.554854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.554854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.554854 (E_RNA)
where:
Base-Base interactions energy: -40.687
where: short stacking energy: -40.687
Base-Backbone interact. energy: -0.018
local terms energy: -54.849808
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -12.223
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -7.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -225.820720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.820720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.820720 (E_RNA)
where:
Base-Base interactions energy: -149.011
where: short stacking energy: -70.283
Base-Backbone interact. energy: -0.042
local terms energy: -76.767480
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -17.729
flat angles P-C4'-P energy: -6.602
tors. eta vs tors. theta energy: -18.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -234.148255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.148255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.148255 (E_RNA)
where:
Base-Base interactions energy: -162.462
where: short stacking energy: -68.427
Base-Backbone interact. energy: -1.122
local terms energy: -70.564070
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -14.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -209.912619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.912619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.912619 (E_RNA)
where:
Base-Base interactions energy: -138.609
where: short stacking energy: -65.273
Base-Backbone interact. energy: -0.032
local terms energy: -71.271570
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -14.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -194.755422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.755422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.755422 (E_RNA)
where:
Base-Base interactions energy: -128.211
where: short stacking energy: -63.837
Base-Backbone interact. energy: -0.082
local terms energy: -66.462919
where:
bonds (distance) C4'-P energy: -12.714
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -14.339
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: 120
Temperature: 1.100000
Total energy: -180.525407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.525407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.525407 (E_RNA)
where:
Base-Base interactions energy: -113.908
where: short stacking energy: -51.312
Base-Backbone interact. energy: 0.098
local terms energy: -66.714831
where:
bonds (distance) C4'-P energy: -18.547
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -9.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -119.491939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.491939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.491939 (E_RNA)
where:
Base-Base interactions energy: -54.859
where: short stacking energy: -49.935
Base-Backbone interact. energy: -0.046
local terms energy: -64.587400
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -15.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -105.635224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.635224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.635224 (E_RNA)
where:
Base-Base interactions energy: -46.324
where: short stacking energy: -39.971
Base-Backbone interact. energy: -0.081
local terms energy: -59.230656
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -9.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -94.053489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.053489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.053489 (E_RNA)
where:
Base-Base interactions energy: -36.383
where: short stacking energy: -36.121
Base-Backbone interact. energy: -0.050
local terms energy: -57.620282
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -6.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -100.701880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.701880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.701880 (E_RNA)
where:
Base-Base interactions energy: -46.287
where: short stacking energy: -35.450
Base-Backbone interact. energy: -0.077
local terms energy: -54.337618
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -7.190
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: 3
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -79.417544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.417544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.417544 (E_RNA)
where:
Base-Base interactions energy: -27.994
where: short stacking energy: -26.753
Base-Backbone interact. energy: -0.658
local terms energy: -50.765406
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -9.544
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: 0.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -221.931067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.931067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.931067 (E_RNA)
where:
Base-Base interactions energy: -144.501
where: short stacking energy: -69.410
Base-Backbone interact. energy: -0.021
local terms energy: -77.408851
where:
bonds (distance) C4'-P energy: -18.563
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -12.159
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: 2, replica: 1
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -220.593276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.593276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.593276 (E_RNA)
where:
Base-Base interactions energy: -144.420
where: short stacking energy: -68.966
Base-Backbone interact. energy: -0.049
local terms energy: -76.124448
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -19.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -232.269260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.269260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.269260 (E_RNA)
where:
Base-Base interactions energy: -162.366
where: short stacking energy: -70.111
Base-Backbone interact. energy: -0.646
local terms energy: -69.257529
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -11.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -211.086810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.086810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.086810 (E_RNA)
where:
Base-Base interactions energy: -125.473
where: short stacking energy: -65.642
Base-Backbone interact. energy: -0.022
local terms energy: -85.591444
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -20.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -180.485938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.485938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.485938 (E_RNA)
where:
Base-Base interactions energy: -111.198
where: short stacking energy: -52.083
Base-Backbone interact. energy: -0.054
local terms energy: -69.234149
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -12.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -114.921391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.921391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.921391 (E_RNA)
where:
Base-Base interactions energy: -50.707
where: short stacking energy: -30.529
Base-Backbone interact. energy: -0.446
local terms energy: -63.768675
where:
bonds (distance) C4'-P energy: -16.808
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -2.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -93.310758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.310758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.310758 (E_RNA)
where:
Base-Base interactions energy: -41.634
where: short stacking energy: -41.634
Base-Backbone interact. energy: -0.005
local terms energy: -51.672411
where:
bonds (distance) C4'-P energy: -20.061
bonds (distance) P-C4' energy: -12.072
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -2.810
tors. eta vs tors. theta energy: -4.328
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: 9
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -99.197257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.197257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.197257 (E_RNA)
where:
Base-Base interactions energy: -55.995
where: short stacking energy: -28.236
Base-Backbone interact. energy: -0.303
local terms energy: -42.899383
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -9.699
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -4.169
tors. eta vs tors. theta energy: 1.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -86.572483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.572483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.572483 (E_RNA)
where:
Base-Base interactions energy: -26.441
where: short stacking energy: -26.441
Base-Backbone interact. energy: -0.041
local terms energy: -60.090634
where:
bonds (distance) C4'-P energy: -17.742
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -3.908
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: 3
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -94.723082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.723082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.723082 (E_RNA)
where:
Base-Base interactions energy: -46.789
where: short stacking energy: -39.367
Base-Backbone interact. energy: -0.069
local terms energy: -47.865758
where:
bonds (distance) C4'-P energy: -9.682
bonds (distance) P-C4' energy: -7.671
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -5.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -236.604014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.604014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.604014 (E_RNA)
where:
Base-Base interactions energy: -165.081
where: short stacking energy: -75.974
Base-Backbone interact. energy: 0.351
local terms energy: -71.874027
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -17.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -226.447389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.447389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.447389 (E_RNA)
where:
Base-Base interactions energy: -148.419
where: short stacking energy: -70.173
Base-Backbone interact. energy: -0.523
local terms energy: -77.506000
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -17.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -231.648918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.648918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.648918 (E_RNA)
where:
Base-Base interactions energy: -160.772
where: short stacking energy: -67.135
Base-Backbone interact. energy: 0.115
local terms energy: -70.992207
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -12.340
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: 4
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -208.058739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.058739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.058739 (E_RNA)
where:
Base-Base interactions energy: -130.439
where: short stacking energy: -73.185
Base-Backbone interact. energy: -0.073
local terms energy: -77.546958
where:
bonds (distance) C4'-P energy: -14.461
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -21.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -184.165454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.165454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.165454 (E_RNA)
where:
Base-Base interactions energy: -112.433
where: short stacking energy: -68.141
Base-Backbone interact. energy: -0.012
local terms energy: -71.720955
where:
bonds (distance) C4'-P energy: -11.277
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -17.798
flat angles P-C4'-P energy: -8.517
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: 6, replica: 8
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -109.651421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.651421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.651421 (E_RNA)
where:
Base-Base interactions energy: -45.508
where: short stacking energy: -42.332
Base-Backbone interact. energy: -0.197
local terms energy: -63.946491
where:
bonds (distance) C4'-P energy: -18.700
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -10.770
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -7.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -111.520428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.520428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.520428 (E_RNA)
where:
Base-Base interactions energy: -61.414
where: short stacking energy: -36.920
Base-Backbone interact. energy: -0.010
local terms energy: -50.096977
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -3.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -93.344094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.344094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.344094 (E_RNA)
where:
Base-Base interactions energy: -30.309
where: short stacking energy: -29.036
Base-Backbone interact. energy: -0.234
local terms energy: -62.800895
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -11.289
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: 9, replica: 3
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -87.269025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.269025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.269025 (E_RNA)
where:
Base-Base interactions energy: -32.724
where: short stacking energy: -31.797
Base-Backbone interact. energy: 0.069
local terms energy: -54.614451
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -5.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -81.332549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.332549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.332549 (E_RNA)
where:
Base-Base interactions energy: -39.752
where: short stacking energy: -34.199
Base-Backbone interact. energy: -0.417
local terms energy: -41.162772
where:
bonds (distance) C4'-P energy: -10.047
bonds (distance) P-C4' energy: -8.994
flat angles C4'-P-C4' energy: -11.050
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: 0.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -232.001688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.001688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.001688 (E_RNA)
where:
Base-Base interactions energy: -156.373
where: short stacking energy: -72.702
Base-Backbone interact. energy: -1.299
local terms energy: -74.329736
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -7.860
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: 5
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -236.230276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.230276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.230276 (E_RNA)
where:
Base-Base interactions energy: -160.446
where: short stacking energy: -59.276
Base-Backbone interact. energy: -0.560
local terms energy: -75.223411
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -15.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -206.249954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.249954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.249954 (E_RNA)
where:
Base-Base interactions energy: -130.030
where: short stacking energy: -61.437
Base-Backbone interact. energy: -0.642
local terms energy: -75.578418
where:
bonds (distance) C4'-P energy: -18.082
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -11.299
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: 4
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -198.275799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.275799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.275799 (E_RNA)
where:
Base-Base interactions energy: -125.581
where: short stacking energy: -65.863
Base-Backbone interact. energy: -0.174
local terms energy: -72.520503
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -19.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -201.403065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.403065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.403065 (E_RNA)
where:
Base-Base interactions energy: -133.300
where: short stacking energy: -63.010
Base-Backbone interact. energy: 1.714
local terms energy: -69.817549
where:
bonds (distance) C4'-P energy: -10.651
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -16.765
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: 9
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -102.461553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.461553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.461553 (E_RNA)
where:
Base-Base interactions energy: -51.703
where: short stacking energy: -32.823
Base-Backbone interact. energy: -0.619
local terms energy: -50.139095
where:
bonds (distance) C4'-P energy: -9.477
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -5.947
tors. eta vs tors. theta energy: -6.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -86.857388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.857388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.857388 (E_RNA)
where:
Base-Base interactions energy: -32.766
where: short stacking energy: -27.778
Base-Backbone interact. energy: -0.190
local terms energy: -53.901376
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -0.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -91.726465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.726465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.726465 (E_RNA)
where:
Base-Base interactions energy: -40.108
where: short stacking energy: -31.690
Base-Backbone interact. energy: -1.052
local terms energy: -50.566380
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -17.511
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: -0.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -86.858999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.858999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.858999 (E_RNA)
where:
Base-Base interactions energy: -23.523
where: short stacking energy: -23.648
Base-Backbone interact. energy: -0.173
local terms energy: -63.163747
where:
bonds (distance) C4'-P energy: -17.964
bonds (distance) P-C4' energy: -17.884
flat angles C4'-P-C4' energy: -9.867
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -5.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -83.939777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.939777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.939777 (E_RNA)
where:
Base-Base interactions energy: -35.733
where: short stacking energy: -33.604
Base-Backbone interact. energy: 2.497
local terms energy: -50.704130
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -0.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -245.830510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.830510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.830510 (E_RNA)
where:
Base-Base interactions energy: -174.386
where: short stacking energy: -72.856
Base-Backbone interact. energy: 0.465
local terms energy: -71.909480
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -15.858
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: 124
Temperature: 0.950000
Total energy: -218.689126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.689126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.689126 (E_RNA)
where:
Base-Base interactions energy: -137.421
where: short stacking energy: -71.704
Base-Backbone interact. energy: -0.339
local terms energy: -80.929196
where:
bonds (distance) C4'-P energy: -19.456
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: -16.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -204.789344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.789344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.789344 (E_RNA)
where:
Base-Base interactions energy: -130.264
where: short stacking energy: -51.506
Base-Backbone interact. energy: -0.138
local terms energy: -74.388161
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -17.201
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -13.532
tors. eta vs tors. theta energy: -13.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -206.874233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.874233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.874233 (E_RNA)
where:
Base-Base interactions energy: -132.448
where: short stacking energy: -69.417
Base-Backbone interact. energy: -0.060
local terms energy: -74.365967
where:
bonds (distance) C4'-P energy: -10.457
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -20.250
flat angles P-C4'-P energy: -7.611
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: 5, replica: 2
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -193.186293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.186293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.186293 (E_RNA)
where:
Base-Base interactions energy: -119.440
where: short stacking energy: -55.141
Base-Backbone interact. energy: -0.207
local terms energy: -73.539595
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -11.080
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: 6, replica: 9
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -112.495468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.495468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.495468 (E_RNA)
where:
Base-Base interactions energy: -50.603
where: short stacking energy: -28.507
Base-Backbone interact. energy: -0.196
local terms energy: -61.696517
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -14.711
tors. eta vs tors. theta energy: -5.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -91.598008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.598008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.598008 (E_RNA)
where:
Base-Base interactions energy: -29.698
where: short stacking energy: -29.698
Base-Backbone interact. energy: 1.317
local terms energy: -63.216932
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -6.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -97.417137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.417137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.417137 (E_RNA)
where:
Base-Base interactions energy: -45.156
where: short stacking energy: -29.345
Base-Backbone interact. energy: 0.937
local terms energy: -53.197965
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -0.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -89.525996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.525996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.525996 (E_RNA)
where:
Base-Base interactions energy: -27.668
where: short stacking energy: -27.024
Base-Backbone interact. energy: -0.156
local terms energy: -61.701470
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -18.957
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -13.870
tors. eta vs tors. theta energy: -2.731
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: 10
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -95.174242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.174242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.174242 (E_RNA)
where:
Base-Base interactions energy: -33.330
where: short stacking energy: -32.568
Base-Backbone interact. energy: -0.298
local terms energy: -61.546430
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -10.256
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -9.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -244.418450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.418450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.418450 (E_RNA)
where:
Base-Base interactions energy: -161.463
where: short stacking energy: -74.753
Base-Backbone interact. energy: -0.241
local terms energy: -82.714425
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -11.133
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: 2, replica: 6
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -227.952237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.952237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.952237 (E_RNA)
where:
Base-Base interactions energy: -153.516
where: short stacking energy: -72.702
Base-Backbone interact. energy: -0.014
local terms energy: -74.421897
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -11.195
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: 3, replica: 1
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -195.485132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.485132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.485132 (E_RNA)
where:
Base-Base interactions energy: -126.196
where: short stacking energy: -51.777
Base-Backbone interact. energy: -0.003
local terms energy: -69.286267
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -19.124
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: -14.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -204.993793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.993793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.993793 (E_RNA)
where:
Base-Base interactions energy: -138.110
where: short stacking energy: -53.077
Base-Backbone interact. energy: -0.121
local terms energy: -66.762550
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -13.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -195.106619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.106619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.106619 (E_RNA)
where:
Base-Base interactions energy: -124.239
where: short stacking energy: -61.002
Base-Backbone interact. energy: -0.022
local terms energy: -70.844953
where:
bonds (distance) C4'-P energy: -18.129
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -19.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -108.744771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.744771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.744771 (E_RNA)
where:
Base-Base interactions energy: -49.721
where: short stacking energy: -29.736
Base-Backbone interact. energy: 1.022
local terms energy: -60.045647
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -5.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -129.384808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.384808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.384808 (E_RNA)
where:
Base-Base interactions energy: -70.455
where: short stacking energy: -39.946
Base-Backbone interact. energy: 0.339
local terms energy: -59.268309
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -4.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -100.252430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.252430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.252430 (E_RNA)
where:
Base-Base interactions energy: -45.538
where: short stacking energy: -44.302
Base-Backbone interact. energy: 1.145
local terms energy: -55.859982
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -7.329
tors. eta vs tors. theta energy: -4.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -82.883957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.883957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.883957 (E_RNA)
where:
Base-Base interactions energy: -26.228
where: short stacking energy: -24.624
Base-Backbone interact. energy: 2.898
local terms energy: -59.553726
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -17.637
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -12.228
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: 10, replica: 10
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -93.325816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.325816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.325816 (E_RNA)
where:
Base-Base interactions energy: -34.654
where: short stacking energy: -29.632
Base-Backbone interact. energy: 0.268
local terms energy: -58.940095
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -11.310
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -5.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -240.650504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.650504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.650504 (E_RNA)
where:
Base-Base interactions energy: -170.285
where: short stacking energy: -80.018
Base-Backbone interact. energy: -0.481
local terms energy: -69.884305
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -10.518
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -15.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -222.383556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.383556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.383556 (E_RNA)
where:
Base-Base interactions energy: -148.781
where: short stacking energy: -67.061
Base-Backbone interact. energy: -0.327
local terms energy: -73.274959
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -15.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -210.595386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.595386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.595386 (E_RNA)
where:
Base-Base interactions energy: -130.636
where: short stacking energy: -66.682
Base-Backbone interact. energy: -0.216
local terms energy: -79.742741
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -18.005
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -16.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -171.548481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.548481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.548481 (E_RNA)
where:
Base-Base interactions energy: -103.979
where: short stacking energy: -40.343
Base-Backbone interact. energy: 1.769
local terms energy: -69.339100
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -13.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -190.072301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.072301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.072301 (E_RNA)
where:
Base-Base interactions energy: -114.939
where: short stacking energy: -58.339
Base-Backbone interact. energy: -0.660
local terms energy: -74.473690
where:
bonds (distance) C4'-P energy: -17.707
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -18.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -118.765858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.765858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.765858 (E_RNA)
where:
Base-Base interactions energy: -60.588
where: short stacking energy: -53.577
Base-Backbone interact. energy: -0.023
local terms energy: -58.154799
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -8.149
flat angles P-C4'-P energy: -2.778
tors. eta vs tors. theta energy: -13.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -97.631681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.631681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.631681 (E_RNA)
where:
Base-Base interactions energy: -36.672
where: short stacking energy: -32.793
Base-Backbone interact. energy: -0.271
local terms energy: -60.689372
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -11.096
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -5.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -93.060139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.060139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.060139 (E_RNA)
where:
Base-Base interactions energy: -38.319
where: short stacking energy: -38.319
Base-Backbone interact. energy: -0.039
local terms energy: -54.702520
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -17.938
flat angles C4'-P-C4' energy: -10.053
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -2.306
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: 10
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -80.953750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.953750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.953750 (E_RNA)
where:
Base-Base interactions energy: -27.568
where: short stacking energy: -26.881
Base-Backbone interact. energy: 4.061
local terms energy: -57.447053
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: 1.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -86.358905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.358905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.358905 (E_RNA)
where:
Base-Base interactions energy: -30.256
where: short stacking energy: -28.368
Base-Backbone interact. energy: -0.040
local terms energy: -56.063575
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -10.173
flat angles C4'-P-C4' energy: -10.821
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -10.497
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: 5
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -246.663022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.663022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.663022 (E_RNA)
where:
Base-Base interactions energy: -167.385
where: short stacking energy: -74.762
Base-Backbone interact. energy: -0.570
local terms energy: -78.707741
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -16.126
tors. eta vs tors. theta energy: -17.748
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: 2
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -224.464701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.464701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.464701 (E_RNA)
where:
Base-Base interactions energy: -152.004
where: short stacking energy: -63.072
Base-Backbone interact. energy: -0.139
local terms energy: -72.321687
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -15.218
tors. eta vs tors. theta energy: -13.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -211.368164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.368164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.368164 (E_RNA)
where:
Base-Base interactions energy: -134.828
where: short stacking energy: -69.625
Base-Backbone interact. energy: 0.016
local terms energy: -76.556612
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -19.176
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -19.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -188.092556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.092556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.092556 (E_RNA)
where:
Base-Base interactions energy: -120.635
where: short stacking energy: -62.227
Base-Backbone interact. energy: -0.293
local terms energy: -67.164764
where:
bonds (distance) C4'-P energy: -16.559
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -13.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -166.203466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.203466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.203466 (E_RNA)
where:
Base-Base interactions energy: -104.245
where: short stacking energy: -55.914
Base-Backbone interact. energy: -0.154
local terms energy: -61.803941
where:
bonds (distance) C4'-P energy: -8.767
bonds (distance) P-C4' energy: -12.527
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -12.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -110.210027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.210027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.210027 (E_RNA)
where:
Base-Base interactions energy: -46.321
where: short stacking energy: -44.476
Base-Backbone interact. energy: -0.090
local terms energy: -63.798560
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -13.794
tors. eta vs tors. theta energy: -10.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -119.942579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.942579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.942579 (E_RNA)
where:
Base-Base interactions energy: -54.310
where: short stacking energy: -49.071
Base-Backbone interact. energy: -1.300
local terms energy: -64.331723
where:
bonds (distance) C4'-P energy: -10.933
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -14.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -89.287799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.287799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.287799 (E_RNA)
where:
Base-Base interactions energy: -36.344
where: short stacking energy: -31.610
Base-Backbone interact. energy: 1.677
local terms energy: -54.621163
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -11.305
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -1.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -89.912393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.912393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.912393 (E_RNA)
where:
Base-Base interactions energy: -30.011
where: short stacking energy: -25.135
Base-Backbone interact. energy: -0.157
local terms energy: -59.744610
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -11.218
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: 10, replica: 8
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -81.026554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.026554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.026554 (E_RNA)
where:
Base-Base interactions energy: -30.854
where: short stacking energy: -24.723
Base-Backbone interact. energy: -0.748
local terms energy: -49.424819
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -11.279
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -1.920
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: 1, replica: 5
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -250.069659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.069659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.069659 (E_RNA)
where:
Base-Base interactions energy: -173.827
where: short stacking energy: -74.135
Base-Backbone interact. energy: -0.054
local terms energy: -76.188236
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -20.265
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -15.393
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: 2
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -224.738104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.738104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.738104 (E_RNA)
where:
Base-Base interactions energy: -152.172
where: short stacking energy: -75.764
Base-Backbone interact. energy: -0.488
local terms energy: -72.077632
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -14.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -208.653593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.653593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.653593 (E_RNA)
where:
Base-Base interactions energy: -130.178
where: short stacking energy: -67.741
Base-Backbone interact. energy: -0.704
local terms energy: -77.771700
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -13.755
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: 6
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -189.786276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.786276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.786276 (E_RNA)
where:
Base-Base interactions energy: -122.052
where: short stacking energy: -52.843
Base-Backbone interact. energy: -0.505
local terms energy: -67.229374
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -16.024
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -10.651
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: 1
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -162.093036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.093036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.093036 (E_RNA)
where:
Base-Base interactions energy: -93.519
where: short stacking energy: -58.374
Base-Backbone interact. energy: -0.206
local terms energy: -68.367555
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: -11.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -106.274723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.274723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.274723 (E_RNA)
where:
Base-Base interactions energy: -38.193
where: short stacking energy: -38.193
Base-Backbone interact. energy: -0.200
local terms energy: -67.881778
where:
bonds (distance) C4'-P energy: -19.242
bonds (distance) P-C4' energy: -17.740
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -7.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -95.913697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.913697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.913697 (E_RNA)
where:
Base-Base interactions energy: -47.029
where: short stacking energy: -21.901
Base-Backbone interact. energy: -0.202
local terms energy: -48.682807
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: 3.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -82.927166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.927166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.927166 (E_RNA)
where:
Base-Base interactions energy: -29.791
where: short stacking energy: -23.862
Base-Backbone interact. energy: 0.404
local terms energy: -53.540152
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -9.903
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: 9, replica: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -91.139334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.139334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.139334 (E_RNA)
where:
Base-Base interactions energy: -43.684
where: short stacking energy: -25.041
Base-Backbone interact. energy: -1.007
local terms energy: -46.448659
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -5.502
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: 10
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -83.324620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.324620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.324620 (E_RNA)
where:
Base-Base interactions energy: -29.347
where: short stacking energy: -29.347
Base-Backbone interact. energy: -0.940
local terms energy: -53.037488
where:
bonds (distance) C4'-P energy: -9.298
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -5.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -250.626421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.626421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.626421 (E_RNA)
where:
Base-Base interactions energy: -173.008
where: short stacking energy: -73.500
Base-Backbone interact. energy: -0.646
local terms energy: -76.971828
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -15.190
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: 2, replica: 4
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -225.762412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.762412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.762412 (E_RNA)
where:
Base-Base interactions energy: -147.622
where: short stacking energy: -74.183
Base-Backbone interact. energy: -0.003
local terms energy: -78.138066
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -18.532
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -16.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -215.251992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.251992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.251992 (E_RNA)
where:
Base-Base interactions energy: -141.760
where: short stacking energy: -58.263
Base-Backbone interact. energy: 0.601
local terms energy: -74.092838
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -18.792
flat angles P-C4'-P energy: -13.895
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: 4, replica: 6
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -196.730971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.730971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.730971 (E_RNA)
where:
Base-Base interactions energy: -127.495
where: short stacking energy: -70.608
Base-Backbone interact. energy: -0.012
local terms energy: -69.223713
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -12.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -172.275591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.275591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.275591 (E_RNA)
where:
Base-Base interactions energy: -104.454
where: short stacking energy: -52.759
Base-Backbone interact. energy: -0.074
local terms energy: -67.747390
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -13.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -112.689316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.689316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.689316 (E_RNA)
where:
Base-Base interactions energy: -41.433
where: short stacking energy: -39.488
Base-Backbone interact. energy: -0.054
local terms energy: -71.202796
where:
bonds (distance) C4'-P energy: -17.669
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -11.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -100.360927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.360927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.360927 (E_RNA)
where:
Base-Base interactions energy: -49.873
where: short stacking energy: -37.729
Base-Backbone interact. energy: -0.931
local terms energy: -49.556898
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -3.059
tors. eta vs tors. theta energy: -6.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -84.976873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.976873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.976873 (E_RNA)
where:
Base-Base interactions energy: -38.933
where: short stacking energy: -30.280
Base-Backbone interact. energy: -0.177
local terms energy: -45.867336
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -11.740
flat angles C4'-P-C4' energy: -9.484
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -2.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -80.434958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.434958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.434958 (E_RNA)
where:
Base-Base interactions energy: -30.029
where: short stacking energy: -20.014
Base-Backbone interact. energy: -0.208
local terms energy: -50.198078
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: 5.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -88.160953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.160953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.160953 (E_RNA)
where:
Base-Base interactions energy: -34.369
where: short stacking energy: -18.430
Base-Backbone interact. energy: 0.108
local terms energy: -53.900227
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: 1.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -237.619495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.619495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.619495 (E_RNA)
where:
Base-Base interactions energy: -154.723
where: short stacking energy: -77.878
Base-Backbone interact. energy: -0.115
local terms energy: -82.781383
where:
bonds (distance) C4'-P energy: -17.917
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -18.123
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -18.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -233.041228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.041228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.041228 (E_RNA)
where:
Base-Base interactions energy: -154.578
where: short stacking energy: -68.179
Base-Backbone interact. energy: 0.458
local terms energy: -78.920900
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -15.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -216.074231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.074231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.074231 (E_RNA)
where:
Base-Base interactions energy: -142.447
where: short stacking energy: -59.021
Base-Backbone interact. energy: 0.148
local terms energy: -73.774626
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -18.650
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -16.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -184.155139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.155139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.155139 (E_RNA)
where:
Base-Base interactions energy: -117.893
where: short stacking energy: -54.418
Base-Backbone interact. energy: 0.001
local terms energy: -66.262424
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -10.764
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: 130
Temperature: 1.100000
Total energy: -193.398037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.398037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.398037 (E_RNA)
where:
Base-Base interactions energy: -125.444
where: short stacking energy: -62.841
Base-Backbone interact. energy: -0.059
local terms energy: -67.895731
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -4.729
tors. eta vs tors. theta energy: -14.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -102.311257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.311257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.311257 (E_RNA)
where:
Base-Base interactions energy: -45.602
where: short stacking energy: -39.546
Base-Backbone interact. energy: -0.590
local terms energy: -56.118969
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -9.545
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -8.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -107.495161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.495161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.495161 (E_RNA)
where:
Base-Base interactions energy: -51.441
where: short stacking energy: -40.885
Base-Backbone interact. energy: -0.083
local terms energy: -55.971164
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -4.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -92.046603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.046603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.046603 (E_RNA)
where:
Base-Base interactions energy: -29.510
where: short stacking energy: -29.080
Base-Backbone interact. energy: -0.114
local terms energy: -62.422445
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -2.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -99.157157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.157157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.157157 (E_RNA)
where:
Base-Base interactions energy: -37.509
where: short stacking energy: -35.126
Base-Backbone interact. energy: -0.072
local terms energy: -61.575629
where:
bonds (distance) C4'-P energy: -10.283
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -9.820
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: 10, replica: 9
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -88.075619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.075619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.075619 (E_RNA)
where:
Base-Base interactions energy: -31.721
where: short stacking energy: -22.915
Base-Backbone interact. energy: -0.107
local terms energy: -56.247512
where:
bonds (distance) C4'-P energy: -9.384
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -14.362
tors. eta vs tors. theta energy: -5.235
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: 4
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -233.664377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.664377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.664377 (E_RNA)
where:
Base-Base interactions energy: -155.231
where: short stacking energy: -73.012
Base-Backbone interact. energy: -0.341
local terms energy: -78.092225
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -19.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -239.142599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.142599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.142599 (E_RNA)
where:
Base-Base interactions energy: -164.222
where: short stacking energy: -61.017
Base-Backbone interact. energy: -0.621
local terms energy: -74.298814
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -16.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -219.943881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.943881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.943881 (E_RNA)
where:
Base-Base interactions energy: -141.813
where: short stacking energy: -79.682
Base-Backbone interact. energy: -0.638
local terms energy: -77.493085
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -15.189
flat angles C4'-P-C4' energy: -18.978
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -19.841
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: 1
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -198.432428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.432428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.432428 (E_RNA)
where:
Base-Base interactions energy: -125.678
where: short stacking energy: -68.796
Base-Backbone interact. energy: -0.124
local terms energy: -72.630521
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -12.342
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: 5, replica: 6
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -187.233474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.233474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.233474 (E_RNA)
where:
Base-Base interactions energy: -115.367
where: short stacking energy: -57.829
Base-Backbone interact. energy: -0.078
local terms energy: -71.788665
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -13.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -101.835923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.835923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.835923 (E_RNA)
where:
Base-Base interactions energy: -42.125
where: short stacking energy: -34.564
Base-Backbone interact. energy: -0.366
local terms energy: -59.344917
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -8.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -116.247261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.247261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.247261 (E_RNA)
where:
Base-Base interactions energy: -58.172
where: short stacking energy: -38.840
Base-Backbone interact. energy: -0.981
local terms energy: -57.094128
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -8.031
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: 10
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -90.432614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.432614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.432614 (E_RNA)
where:
Base-Base interactions energy: -41.508
where: short stacking energy: -38.864
Base-Backbone interact. energy: -0.040
local terms energy: -48.884975
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -5.120
tors. eta vs tors. theta energy: -6.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -86.291660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.291660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.291660 (E_RNA)
where:
Base-Base interactions energy: -28.349
where: short stacking energy: -28.119
Base-Backbone interact. energy: -0.179
local terms energy: -57.763475
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -10.643
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -2.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -89.629219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.629219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.629219 (E_RNA)
where:
Base-Base interactions energy: -41.146
where: short stacking energy: -40.177
Base-Backbone interact. energy: -0.180
local terms energy: -48.303309
where:
bonds (distance) C4'-P energy: -8.380
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -6.664
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: 132
Temperature: 0.900000
Total energy: -241.876097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.876097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.876097 (E_RNA)
where:
Base-Base interactions energy: -160.833
where: short stacking energy: -75.647
Base-Backbone interact. energy: 0.068
local terms energy: -81.110656
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -20.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -227.917807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.917807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.917807 (E_RNA)
where:
Base-Base interactions energy: -154.804
where: short stacking energy: -70.441
Base-Backbone interact. energy: -0.410
local terms energy: -72.703685
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -14.953
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -18.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -217.941759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.941759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.941759 (E_RNA)
where:
Base-Base interactions energy: -140.530
where: short stacking energy: -71.542
Base-Backbone interact. energy: -0.122
local terms energy: -77.288958
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -22.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -196.998569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.998569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.998569 (E_RNA)
where:
Base-Base interactions energy: -136.603
where: short stacking energy: -63.516
Base-Backbone interact. energy: -0.124
local terms energy: -60.271706
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -11.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -189.770942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.770942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.770942 (E_RNA)
where:
Base-Base interactions energy: -115.489
where: short stacking energy: -63.786
Base-Backbone interact. energy: -0.025
local terms energy: -74.256438
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -19.750
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -12.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -128.640411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.640411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.640411 (E_RNA)
where:
Base-Base interactions energy: -59.181
where: short stacking energy: -48.147
Base-Backbone interact. energy: -0.155
local terms energy: -69.305274
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -16.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -95.697497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.697497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.697497 (E_RNA)
where:
Base-Base interactions energy: -37.705
where: short stacking energy: -37.705
Base-Backbone interact. energy: -0.127
local terms energy: -57.866368
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -4.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -82.987861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.987861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.987861 (E_RNA)
where:
Base-Base interactions energy: -33.020
where: short stacking energy: -33.020
Base-Backbone interact. energy: -0.106
local terms energy: -49.862079
where:
bonds (distance) C4'-P energy: -8.999
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -1.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -126.321664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.321664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.321664 (E_RNA)
where:
Base-Base interactions energy: -66.647
where: short stacking energy: -34.749
Base-Backbone interact. energy: -0.079
local terms energy: -59.595371
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -4.725
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: 10, replica: 7
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -88.292153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.292153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.292153 (E_RNA)
where:
Base-Base interactions energy: -31.300
where: short stacking energy: -30.815
Base-Backbone interact. energy: -0.089
local terms energy: -56.902681
where:
bonds (distance) C4'-P energy: -9.947
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -6.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -239.343514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.343514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.343514 (E_RNA)
where:
Base-Base interactions energy: -158.954
where: short stacking energy: -76.814
Base-Backbone interact. energy: -0.079
local terms energy: -80.309815
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -18.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -223.487948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.487948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.487948 (E_RNA)
where:
Base-Base interactions energy: -145.693
where: short stacking energy: -71.385
Base-Backbone interact. energy: -0.096
local terms energy: -77.698339
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -17.981
flat angles P-C4'-P energy: -8.292
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: 5
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -230.890793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.890793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.890793 (E_RNA)
where:
Base-Base interactions energy: -155.840
where: short stacking energy: -68.483
Base-Backbone interact. energy: -1.454
local terms energy: -73.597346
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -16.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -212.555426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.555426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.555426 (E_RNA)
where:
Base-Base interactions energy: -137.348
where: short stacking energy: -66.352
Base-Backbone interact. energy: -0.015
local terms energy: -75.193048
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -15.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -182.120919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.120919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.120919 (E_RNA)
where:
Base-Base interactions energy: -109.606
where: short stacking energy: -51.342
Base-Backbone interact. energy: -0.047
local terms energy: -72.468339
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -15.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -117.867985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.867985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.867985 (E_RNA)
where:
Base-Base interactions energy: -60.162
where: short stacking energy: -44.238
Base-Backbone interact. energy: -1.359
local terms energy: -56.346777
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -6.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -105.371367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.371367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.371367 (E_RNA)
where:
Base-Base interactions energy: -37.671
where: short stacking energy: -37.671
Base-Backbone interact. energy: -0.227
local terms energy: -67.473396
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -18.787
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -8.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -146.515627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.515627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.515627 (E_RNA)
where:
Base-Base interactions energy: -90.342
where: short stacking energy: -50.307
Base-Backbone interact. energy: -0.207
local terms energy: -55.965945
where:
bonds (distance) C4'-P energy: -9.736
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -17.956
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -7.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -83.347791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.347791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.347791 (E_RNA)
where:
Base-Base interactions energy: -33.035
where: short stacking energy: -27.353
Base-Backbone interact. energy: -0.603
local terms energy: -49.709634
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: 3.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -91.003882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.003882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.003882 (E_RNA)
where:
Base-Base interactions energy: -36.142
where: short stacking energy: -36.139
Base-Backbone interact. energy: -0.238
local terms energy: -54.624469
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -4.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -234.906494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.906494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.906494 (E_RNA)
where:
Base-Base interactions energy: -151.300
where: short stacking energy: -71.587
Base-Backbone interact. energy: -0.388
local terms energy: -83.218059
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -15.003
flat angles C4'-P-C4' energy: -18.871
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -19.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -223.077527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.077527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.077527 (E_RNA)
where:
Base-Base interactions energy: -147.359
where: short stacking energy: -62.714
Base-Backbone interact. energy: -0.264
local terms energy: -75.455024
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -20.506
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -16.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -225.294023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.294023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.294023 (E_RNA)
where:
Base-Base interactions energy: -144.680
where: short stacking energy: -69.991
Base-Backbone interact. energy: -0.158
local terms energy: -80.456186
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -20.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -210.889135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.889135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.889135 (E_RNA)
where:
Base-Base interactions energy: -134.866
where: short stacking energy: -51.157
Base-Backbone interact. energy: -1.010
local terms energy: -75.012539
where:
bonds (distance) C4'-P energy: -17.184
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -13.417
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: 5, replica: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -174.570152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.570152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.570152 (E_RNA)
where:
Base-Base interactions energy: -105.058
where: short stacking energy: -48.785
Base-Backbone interact. energy: -0.001
local terms energy: -69.511369
where:
bonds (distance) C4'-P energy: -9.806
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -19.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -94.022807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.022807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.022807 (E_RNA)
where:
Base-Base interactions energy: -35.177
where: short stacking energy: -34.733
Base-Backbone interact. energy: -0.236
local terms energy: -58.609820
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -10.197
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: 7, replica: 3
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -94.730257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.730257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.730257 (E_RNA)
where:
Base-Base interactions energy: -48.681
where: short stacking energy: -28.827
Base-Backbone interact. energy: -1.091
local terms energy: -44.958228
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -10.006
flat angles C4'-P-C4' energy: -8.723
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -0.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -91.910371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.910371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.910371 (E_RNA)
where:
Base-Base interactions energy: -32.905
where: short stacking energy: -32.798
Base-Backbone interact. energy: 0.123
local terms energy: -59.128501
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -8.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -93.649436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.649436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.649436 (E_RNA)
where:
Base-Base interactions energy: -39.471
where: short stacking energy: -29.570
Base-Backbone interact. energy: -0.120
local terms energy: -54.057716
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -8.766
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -6.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -85.921069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.921069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.921069 (E_RNA)
where:
Base-Base interactions energy: -32.172
where: short stacking energy: -23.248
Base-Backbone interact. energy: -0.640
local terms energy: -53.109375
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: 0.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -231.518991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.518991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.518991 (E_RNA)
where:
Base-Base interactions energy: -149.812
where: short stacking energy: -67.847
Base-Backbone interact. energy: 2.106
local terms energy: -83.813237
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -19.281
flat angles C4'-P-C4' energy: -17.754
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -21.629
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: 135
Temperature: 0.950000
Total energy: -215.713621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.713621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.713621 (E_RNA)
where:
Base-Base interactions energy: -148.493
where: short stacking energy: -57.919
Base-Backbone interact. energy: 1.272
local terms energy: -68.493545
where:
bonds (distance) C4'-P energy: -10.710
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -12.146
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: 3, replica: 1
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -215.587505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.587505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.587505 (E_RNA)
where:
Base-Base interactions energy: -141.256
where: short stacking energy: -66.900
Base-Backbone interact. energy: -0.144
local terms energy: -74.188060
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -16.506
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -16.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -222.867125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.867125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.867125 (E_RNA)
where:
Base-Base interactions energy: -156.333
where: short stacking energy: -67.617
Base-Backbone interact. energy: -0.767
local terms energy: -65.767154
where:
bonds (distance) C4'-P energy: -9.583
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -15.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -178.146358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.146358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.146358 (E_RNA)
where:
Base-Base interactions energy: -113.636
where: short stacking energy: -51.183
Base-Backbone interact. energy: -1.283
local terms energy: -63.227029
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -10.268
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: 6, replica: 3
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -92.537334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.537334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.537334 (E_RNA)
where:
Base-Base interactions energy: -34.482
where: short stacking energy: -24.373
Base-Backbone interact. energy: -0.335
local terms energy: -57.720208
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -4.880
tors. eta vs tors. theta energy: 0.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -92.898332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.898332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.898332 (E_RNA)
where:
Base-Base interactions energy: -37.993
where: short stacking energy: -24.472
Base-Backbone interact. energy: -0.253
local terms energy: -54.652452
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -5.466
tors. eta vs tors. theta energy: -2.952
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: 7
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -102.578089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.578089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.578089 (E_RNA)
where:
Base-Base interactions energy: -44.879
where: short stacking energy: -28.496
Base-Backbone interact. energy: 0.876
local terms energy: -58.574999
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -10.411
flat angles P-C4'-P energy: -10.333
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: 9, replica: 9
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -82.276478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.276478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.276478 (E_RNA)
where:
Base-Base interactions energy: -24.371
where: short stacking energy: -24.371
Base-Backbone interact. energy: -0.231
local terms energy: -57.674421
where:
bonds (distance) C4'-P energy: -17.379
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -9.514
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -2.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -85.100966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.100966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.100966 (E_RNA)
where:
Base-Base interactions energy: -34.836
where: short stacking energy: -31.864
Base-Backbone interact. energy: -0.359
local terms energy: -49.906181
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -15.235
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -3.705
tors. eta vs tors. theta energy: -5.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -221.741404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.741404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.741404 (E_RNA)
where:
Base-Base interactions energy: -145.180
where: short stacking energy: -63.089
Base-Backbone interact. energy: -0.046
local terms energy: -76.516066
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -12.218
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: 136
Temperature: 0.950000
Total energy: -221.832503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.832503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.832503 (E_RNA)
where:
Base-Base interactions energy: -158.815
where: short stacking energy: -51.469
Base-Backbone interact. energy: -0.991
local terms energy: -62.026787
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -18.544
flat angles C4'-P-C4' energy: -8.222
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -11.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -231.350079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.350079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.350079 (E_RNA)
where:
Base-Base interactions energy: -159.045
where: short stacking energy: -70.090
Base-Backbone interact. energy: -0.386
local terms energy: -71.919112
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -13.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -208.307471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.307471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.307471 (E_RNA)
where:
Base-Base interactions energy: -121.372
where: short stacking energy: -54.213
Base-Backbone interact. energy: -0.535
local terms energy: -86.399957
where:
bonds (distance) C4'-P energy: -18.774
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -17.852
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -17.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -177.771066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.771066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.771066 (E_RNA)
where:
Base-Base interactions energy: -110.685
where: short stacking energy: -61.751
Base-Backbone interact. energy: -0.001
local terms energy: -67.084544
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -16.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -113.860194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.860194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.860194 (E_RNA)
where:
Base-Base interactions energy: -45.666
where: short stacking energy: -45.666
Base-Backbone interact. energy: -0.069
local terms energy: -68.125714
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -10.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -114.958908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.958908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.958908 (E_RNA)
where:
Base-Base interactions energy: -62.975
where: short stacking energy: -38.163
Base-Backbone interact. energy: -0.330
local terms energy: -51.654555
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -18.063
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -6.147
tors. eta vs tors. theta energy: 2.760
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: 8
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -91.042323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.042323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.042323 (E_RNA)
where:
Base-Base interactions energy: -38.823
where: short stacking energy: -37.189
Base-Backbone interact. energy: -0.004
local terms energy: -52.215570
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -6.329
tors. eta vs tors. theta energy: -6.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -84.327577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.327577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.327577 (E_RNA)
where:
Base-Base interactions energy: -30.386
where: short stacking energy: -28.552
Base-Backbone interact. energy: 0.666
local terms energy: -54.606767
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -17.808
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: 4.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -85.873503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.873503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.873503 (E_RNA)
where:
Base-Base interactions energy: -35.572
where: short stacking energy: -30.906
Base-Backbone interact. energy: -0.003
local terms energy: -50.299258
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: 0.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -224.246810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.246810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.246810 (E_RNA)
where:
Base-Base interactions energy: -154.278
where: short stacking energy: -63.993
Base-Backbone interact. energy: -0.485
local terms energy: -69.484215
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -15.615
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -14.634
tors. eta vs tors. theta energy: -9.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -213.446810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.446810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.446810 (E_RNA)
where:
Base-Base interactions energy: -139.391
where: short stacking energy: -66.356
Base-Backbone interact. energy: -0.158
local terms energy: -73.898271
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -10.383
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: 3, replica: 4
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -193.406759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.406759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.406759 (E_RNA)
where:
Base-Base interactions energy: -131.831
where: short stacking energy: -48.605
Base-Backbone interact. energy: -0.280
local terms energy: -61.295830
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -5.494
tors. eta vs tors. theta energy: -14.337
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: 1
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -213.125200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.125200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.125200 (E_RNA)
where:
Base-Base interactions energy: -141.129
where: short stacking energy: -64.780
Base-Backbone interact. energy: -0.037
local terms energy: -71.960099
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -16.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -182.601671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.601671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.601671 (E_RNA)
where:
Base-Base interactions energy: -118.806
where: short stacking energy: -61.429
Base-Backbone interact. energy: -0.009
local terms energy: -63.786653
where:
bonds (distance) C4'-P energy: -18.583
bonds (distance) P-C4' energy: -9.909
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -3.761
tors. eta vs tors. theta energy: -15.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -157.630597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.630597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.630597 (E_RNA)
where:
Base-Base interactions energy: -96.797
where: short stacking energy: -37.379
Base-Backbone interact. energy: -0.410
local terms energy: -60.423599
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -11.642
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: 7, replica: 3
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -96.352892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.352892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.352892 (E_RNA)
where:
Base-Base interactions energy: -36.111
where: short stacking energy: -35.941
Base-Backbone interact. energy: -0.248
local terms energy: -59.993106
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -14.419
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -4.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -97.876782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.876782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.876782 (E_RNA)
where:
Base-Base interactions energy: -46.668
where: short stacking energy: -29.350
Base-Backbone interact. energy: -0.246
local terms energy: -50.963078
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -6.039
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: 9, replica: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -90.057421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.057421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.057421 (E_RNA)
where:
Base-Base interactions energy: -30.480
where: short stacking energy: -30.111
Base-Backbone interact. energy: -0.874
local terms energy: -58.703372
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -6.705
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: 9
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -80.546480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.546480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.546480 (E_RNA)
where:
Base-Base interactions energy: -24.283
where: short stacking energy: -24.278
Base-Backbone interact. energy: -0.040
local terms energy: -56.222972
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -10.268
flat angles P-C4'-P energy: -9.214
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: 1, replica: 5
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -239.702496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.702496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.702496 (E_RNA)
where:
Base-Base interactions energy: -160.726
where: short stacking energy: -72.823
Base-Backbone interact. energy: -0.025
local terms energy: -78.951338
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -9.321
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: 2, replica: 2
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -218.413880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.413880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.413880 (E_RNA)
where:
Base-Base interactions energy: -140.690
where: short stacking energy: -63.539
Base-Backbone interact. energy: -0.094
local terms energy: -77.629325
where:
bonds (distance) C4'-P energy: -18.521
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -11.516
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: 1
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -216.749626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.749626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.749626 (E_RNA)
where:
Base-Base interactions energy: -133.532
where: short stacking energy: -71.985
Base-Backbone interact. energy: -0.040
local terms energy: -83.177396
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -20.159
flat angles C4'-P-C4' energy: -19.428
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -18.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -199.483111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.483111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.483111 (E_RNA)
where:
Base-Base interactions energy: -123.968
where: short stacking energy: -56.180
Base-Backbone interact. energy: -1.255
local terms energy: -74.260007
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -9.456
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: 5, replica: 7
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -167.962532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.962532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.962532 (E_RNA)
where:
Base-Base interactions energy: -97.552
where: short stacking energy: -51.225
Base-Backbone interact. energy: -0.123
local terms energy: -70.287812
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -13.809
flat angles C4'-P-C4' energy: -18.948
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -15.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -173.523876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.523876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.523876 (E_RNA)
where:
Base-Base interactions energy: -105.306
where: short stacking energy: -53.854
Base-Backbone interact. energy: -0.363
local terms energy: -67.854415
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -11.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -107.037444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.037444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.037444 (E_RNA)
where:
Base-Base interactions energy: -42.870
where: short stacking energy: -42.202
Base-Backbone interact. energy: -0.187
local terms energy: -63.980353
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -19.454
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -2.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -96.300168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.300168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.300168 (E_RNA)
where:
Base-Base interactions energy: -46.556
where: short stacking energy: -33.373
Base-Backbone interact. energy: -0.418
local terms energy: -49.326307
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: 1.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -92.736374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.736374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.736374 (E_RNA)
where:
Base-Base interactions energy: -34.088
where: short stacking energy: -32.942
Base-Backbone interact. energy: -0.045
local terms energy: -58.603748
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -3.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -85.395616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.395616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.395616 (E_RNA)
where:
Base-Base interactions energy: -35.560
where: short stacking energy: -20.870
Base-Backbone interact. energy: 0.357
local terms energy: -50.192879
where:
bonds (distance) C4'-P energy: -9.876
bonds (distance) P-C4' energy: -19.793
flat angles C4'-P-C4' energy: -10.473
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -2.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -223.753801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.753801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.753801 (E_RNA)
where:
Base-Base interactions energy: -146.783
where: short stacking energy: -65.190
Base-Backbone interact. energy: -0.417
local terms energy: -76.554040
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -15.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -234.715189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.715189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.715189 (E_RNA)
where:
Base-Base interactions energy: -148.903
where: short stacking energy: -75.768
Base-Backbone interact. energy: -0.039
local terms energy: -85.773192
where:
bonds (distance) C4'-P energy: -18.684
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -22.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -211.942324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.942324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.942324 (E_RNA)
where:
Base-Base interactions energy: -135.570
where: short stacking energy: -66.037
Base-Backbone interact. energy: -0.005
local terms energy: -76.366675
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -11.708
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: 4
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -221.074429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.074429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.074429 (E_RNA)
where:
Base-Base interactions energy: -146.411
where: short stacking energy: -68.451
Base-Backbone interact. energy: 0.649
local terms energy: -75.312231
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -20.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -157.445926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.445926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.445926 (E_RNA)
where:
Base-Base interactions energy: -97.236
where: short stacking energy: -53.866
Base-Backbone interact. energy: 4.021
local terms energy: -64.231019
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -10.716
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -13.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -157.530869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.530869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.530869 (E_RNA)
where:
Base-Base interactions energy: -101.646
where: short stacking energy: -49.797
Base-Backbone interact. energy: -0.260
local terms energy: -55.624873
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -17.661
flat angles C4'-P-C4' energy: -9.776
flat angles P-C4'-P energy: -4.250
tors. eta vs tors. theta energy: -11.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -92.089149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.089149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.089149 (E_RNA)
where:
Base-Base interactions energy: -34.879
where: short stacking energy: -31.453
Base-Backbone interact. energy: -0.607
local terms energy: -56.603650
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -2.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -102.795590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.795590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.795590 (E_RNA)
where:
Base-Base interactions energy: -44.885
where: short stacking energy: -34.937
Base-Backbone interact. energy: 0.792
local terms energy: -58.702550
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -10.612
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -5.464
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: 3
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -86.412342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.412342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.412342 (E_RNA)
where:
Base-Base interactions energy: -40.171
where: short stacking energy: -40.171
Base-Backbone interact. energy: -0.006
local terms energy: -46.234775
where:
bonds (distance) C4'-P energy: -9.042
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -8.868
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -4.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -75.373694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.373694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.373694 (E_RNA)
where:
Base-Base interactions energy: -28.784
where: short stacking energy: -15.210
Base-Backbone interact. energy: -1.106
local terms energy: -45.483576
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -10.631
flat angles P-C4'-P energy: -5.685
tors. eta vs tors. theta energy: -0.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -237.641034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.641034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.641034 (E_RNA)
where:
Base-Base interactions energy: -154.203
where: short stacking energy: -75.625
Base-Backbone interact. energy: 0.738
local terms energy: -84.175809
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -18.412
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -26.181
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: 2, replica: 5
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -228.024073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.024073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.024073 (E_RNA)
where:
Base-Base interactions energy: -152.673
where: short stacking energy: -61.160
Base-Backbone interact. energy: -1.493
local terms energy: -73.858409
where:
bonds (distance) C4'-P energy: -16.638
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -14.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -220.199407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.199407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.199407 (E_RNA)
where:
Base-Base interactions energy: -144.346
where: short stacking energy: -65.641
Base-Backbone interact. energy: -0.067
local terms energy: -75.786667
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -18.183
flat angles P-C4'-P energy: -8.218
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: 140
Temperature: 1.050000
Total energy: -200.227861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.227861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.227861 (E_RNA)
where:
Base-Base interactions energy: -129.221
where: short stacking energy: -58.288
Base-Backbone interact. energy: -0.092
local terms energy: -70.915093
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -15.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -152.441304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.441304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.441304 (E_RNA)
where:
Base-Base interactions energy: -96.450
where: short stacking energy: -55.499
Base-Backbone interact. energy: -0.024
local terms energy: -55.966758
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -5.681
tors. eta vs tors. theta energy: -7.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -146.559428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.559428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.559428 (E_RNA)
where:
Base-Base interactions energy: -87.707
where: short stacking energy: -48.534
Base-Backbone interact. energy: -0.026
local terms energy: -58.826555
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: -8.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -95.495889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.495889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.495889 (E_RNA)
where:
Base-Base interactions energy: -37.662
where: short stacking energy: -28.158
Base-Backbone interact. energy: -0.061
local terms energy: -57.772614
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -6.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -99.208063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.208063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.208063 (E_RNA)
where:
Base-Base interactions energy: -44.458
where: short stacking energy: -35.530
Base-Backbone interact. energy: 3.141
local terms energy: -57.891511
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -1.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -87.862940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.862940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.862940 (E_RNA)
where:
Base-Base interactions energy: -37.097
where: short stacking energy: -29.457
Base-Backbone interact. energy: -0.932
local terms energy: -49.833689
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -11.769
flat angles C4'-P-C4' energy: -8.563
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -2.508
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: 140
Temperature: 1.350000
Total energy: -91.398133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.398133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.398133 (E_RNA)
where:
Base-Base interactions energy: -36.359
where: short stacking energy: -36.359
Base-Backbone interact. energy: -0.128
local terms energy: -54.911166
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -11.113
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -6.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -241.192214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.192214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.192214 (E_RNA)
where:
Base-Base interactions energy: -156.743
where: short stacking energy: -74.582
Base-Backbone interact. energy: -0.008
local terms energy: -84.441495
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -19.132
flat angles P-C4'-P energy: -13.285
tors. eta vs tors. theta energy: -20.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -234.696524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.696524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.696524 (E_RNA)
where:
Base-Base interactions energy: -165.951
where: short stacking energy: -73.488
Base-Backbone interact. energy: -0.290
local terms energy: -68.455539
where:
bonds (distance) C4'-P energy: -11.964
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -5.956
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: 3, replica: 2
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -198.736901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.736901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.736901 (E_RNA)
where:
Base-Base interactions energy: -132.127
where: short stacking energy: -49.910
Base-Backbone interact. energy: -1.007
local terms energy: -65.603164
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -10.695
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -10.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -219.180407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.180407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.180407 (E_RNA)
where:
Base-Base interactions energy: -147.074
where: short stacking energy: -62.076
Base-Backbone interact. energy: -0.620
local terms energy: -71.486258
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -17.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -163.802351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.802351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.802351 (E_RNA)
where:
Base-Base interactions energy: -96.741
where: short stacking energy: -42.722
Base-Backbone interact. energy: 0.099
local terms energy: -67.159749
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -9.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -165.056542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.056542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.056542 (E_RNA)
where:
Base-Base interactions energy: -100.945
where: short stacking energy: -53.946
Base-Backbone interact. energy: 0.332
local terms energy: -64.443542
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -12.671
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: 8
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -104.293085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.293085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.293085 (E_RNA)
where:
Base-Base interactions energy: -46.793
where: short stacking energy: -46.071
Base-Backbone interact. energy: -0.056
local terms energy: -57.443749
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -7.464
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -9.104
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: 10
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -100.222811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.222811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.222811 (E_RNA)
where:
Base-Base interactions energy: -56.480
where: short stacking energy: -25.303
Base-Backbone interact. energy: -0.914
local terms energy: -42.829021
where:
bonds (distance) C4'-P energy: -10.419
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -10.510
flat angles P-C4'-P energy: -3.008
tors. eta vs tors. theta energy: -0.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -80.815340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.815340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.815340 (E_RNA)
where:
Base-Base interactions energy: -18.822
where: short stacking energy: -12.163
Base-Backbone interact. energy: -0.451
local terms energy: -61.542807
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -19.582
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -1.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -80.315391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.315391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.315391 (E_RNA)
where:
Base-Base interactions energy: -26.319
where: short stacking energy: -25.694
Base-Backbone interact. energy: -0.269
local terms energy: -53.727876
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -12.291
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -5.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -230.642206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.642206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.642206 (E_RNA)
where:
Base-Base interactions energy: -158.395
where: short stacking energy: -63.004
Base-Backbone interact. energy: -0.240
local terms energy: -72.006852
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -16.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -229.945360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.945360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.945360 (E_RNA)
where:
Base-Base interactions energy: -146.884
where: short stacking energy: -71.261
Base-Backbone interact. energy: -0.016
local terms energy: -83.045803
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -19.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -220.252576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.252576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.252576 (E_RNA)
where:
Base-Base interactions energy: -145.526
where: short stacking energy: -68.075
Base-Backbone interact. energy: -0.262
local terms energy: -74.464581
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: -22.040
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: 142
Temperature: 1.050000
Total energy: -187.280666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.280666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.280666 (E_RNA)
where:
Base-Base interactions energy: -125.819
where: short stacking energy: -53.479
Base-Backbone interact. energy: -0.253
local terms energy: -61.208619
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -10.010
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -6.062
tors. eta vs tors. theta energy: -14.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -163.039999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.039999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.039999 (E_RNA)
where:
Base-Base interactions energy: -101.015
where: short stacking energy: -49.984
Base-Backbone interact. energy: -0.131
local terms energy: -61.893600
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -10.683
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -13.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -170.346743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.346743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.346743 (E_RNA)
where:
Base-Base interactions energy: -109.044
where: short stacking energy: -49.363
Base-Backbone interact. energy: -0.252
local terms energy: -61.050135
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -19.158
flat angles P-C4'-P energy: -5.898
tors. eta vs tors. theta energy: -11.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -96.370044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.370044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.370044 (E_RNA)
where:
Base-Base interactions energy: -39.149
where: short stacking energy: -35.038
Base-Backbone interact. energy: -0.570
local terms energy: -56.650460
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -7.626
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -9.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -105.586769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.586769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.586769 (E_RNA)
where:
Base-Base interactions energy: -37.459
where: short stacking energy: -37.314
Base-Backbone interact. energy: -0.650
local terms energy: -67.477805
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -10.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -90.884388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.884388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.884388 (E_RNA)
where:
Base-Base interactions energy: -35.875
where: short stacking energy: -30.105
Base-Backbone interact. energy: -0.085
local terms energy: -54.923911
where:
bonds (distance) C4'-P energy: -10.880
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -2.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -87.717895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.717895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.717895 (E_RNA)
where:
Base-Base interactions energy: -30.708
where: short stacking energy: -29.990
Base-Backbone interact. energy: -0.111
local terms energy: -56.898714
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -3.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -236.797694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.797694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.797694 (E_RNA)
where:
Base-Base interactions energy: -160.335
where: short stacking energy: -65.839
Base-Backbone interact. energy: -0.107
local terms energy: -76.355301
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -17.207
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -15.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -229.137930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.137930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.137930 (E_RNA)
where:
Base-Base interactions energy: -150.040
where: short stacking energy: -69.781
Base-Backbone interact. energy: -1.335
local terms energy: -77.762797
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -17.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -224.422169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.422169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.422169 (E_RNA)
where:
Base-Base interactions energy: -139.411
where: short stacking energy: -70.126
Base-Backbone interact. energy: -0.607
local terms energy: -84.403773
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -20.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -198.772736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.772736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.772736 (E_RNA)
where:
Base-Base interactions energy: -125.030
where: short stacking energy: -64.286
Base-Backbone interact. energy: -0.141
local terms energy: -73.601920
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -11.152
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: 7
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -194.045389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.045389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.045389 (E_RNA)
where:
Base-Base interactions energy: -121.877
where: short stacking energy: -72.637
Base-Backbone interact. energy: -0.005
local terms energy: -72.163307
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -12.279
flat angles C4'-P-C4' energy: -17.673
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -21.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -172.194688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.194688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.194688 (E_RNA)
where:
Base-Base interactions energy: -115.283
where: short stacking energy: -47.084
Base-Backbone interact. energy: 0.524
local terms energy: -57.435880
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -10.865
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: -13.353
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: 143
Temperature: 1.200000
Total energy: -90.191470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.191470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.191470 (E_RNA)
where:
Base-Base interactions energy: -37.269
where: short stacking energy: -34.413
Base-Backbone interact. energy: -0.098
local terms energy: -52.824311
where:
bonds (distance) C4'-P energy: -11.347
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -1.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -84.103531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.103531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.103531 (E_RNA)
where:
Base-Base interactions energy: -34.846
where: short stacking energy: -20.108
Base-Backbone interact. energy: -0.324
local terms energy: -48.933318
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -2.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -76.159772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.159772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.159772 (E_RNA)
where:
Base-Base interactions energy: -29.624
where: short stacking energy: -22.502
Base-Backbone interact. energy: -0.511
local terms energy: -46.024219
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -9.292
flat angles P-C4'-P energy: -5.597
tors. eta vs tors. theta energy: -1.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -72.395709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.395709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.395709 (E_RNA)
where:
Base-Base interactions energy: -21.407
where: short stacking energy: -21.029
Base-Backbone interact. energy: -0.103
local terms energy: -50.885241
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -7.111
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -1.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -239.189940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.189940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.189940 (E_RNA)
where:
Base-Base interactions energy: -155.129
where: short stacking energy: -73.747
Base-Backbone interact. energy: -0.058
local terms energy: -84.003480
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -21.958
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: 5
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -229.223194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.223194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.223194 (E_RNA)
where:
Base-Base interactions energy: -151.698
where: short stacking energy: -65.893
Base-Backbone interact. energy: 0.027
local terms energy: -77.551463
where:
bonds (distance) C4'-P energy: -17.434
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -13.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -208.087938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.087938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.087938 (E_RNA)
where:
Base-Base interactions energy: -141.729
where: short stacking energy: -67.869
Base-Backbone interact. energy: -0.396
local terms energy: -65.963469
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -16.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -229.484100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.484100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.484100 (E_RNA)
where:
Base-Base interactions energy: -152.660
where: short stacking energy: -74.072
Base-Backbone interact. energy: -0.090
local terms energy: -76.734377
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -11.755
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -23.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -184.802862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.802862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.802862 (E_RNA)
where:
Base-Base interactions energy: -116.402
where: short stacking energy: -72.906
Base-Backbone interact. energy: -0.025
local terms energy: -68.375997
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -9.590
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -12.850
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: 6, replica: 6
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -171.499678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.499678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.499678 (E_RNA)
where:
Base-Base interactions energy: -111.140
where: short stacking energy: -58.872
Base-Backbone interact. energy: -1.780
local terms energy: -58.579989
where:
bonds (distance) C4'-P energy: -10.825
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -9.494
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -15.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -107.133539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.133539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.133539 (E_RNA)
where:
Base-Base interactions energy: -51.369
where: short stacking energy: -34.187
Base-Backbone interact. energy: 0.897
local terms energy: -56.661637
where:
bonds (distance) C4'-P energy: -9.960
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -9.854
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -8.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -91.958947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.958947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.958947 (E_RNA)
where:
Base-Base interactions energy: -35.618
where: short stacking energy: -34.893
Base-Backbone interact. energy: -0.207
local terms energy: -56.133083
where:
bonds (distance) C4'-P energy: -14.341
bonds (distance) P-C4' energy: -18.217
flat angles C4'-P-C4' energy: -8.964
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -5.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -89.786730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.786730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.786730 (E_RNA)
where:
Base-Base interactions energy: -37.519
where: short stacking energy: -35.886
Base-Backbone interact. energy: -0.136
local terms energy: -52.131670
where:
bonds (distance) C4'-P energy: -10.150
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -3.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -78.432723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.432723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.432723 (E_RNA)
where:
Base-Base interactions energy: -38.166
where: short stacking energy: -31.484
Base-Backbone interact. energy: -0.322
local terms energy: -39.944903
where:
bonds (distance) C4'-P energy: -7.459
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -2.067
tors. eta vs tors. theta energy: -2.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -231.661592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.661592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.661592 (E_RNA)
where:
Base-Base interactions energy: -154.868
where: short stacking energy: -72.335
Base-Backbone interact. energy: -0.246
local terms energy: -76.548385
where:
bonds (distance) C4'-P energy: -17.779
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -20.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -224.406412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.406412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.406412 (E_RNA)
where:
Base-Base interactions energy: -152.166
where: short stacking energy: -70.660
Base-Backbone interact. energy: -0.412
local terms energy: -71.828422
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -19.867
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -16.377
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: 2
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -205.533282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.533282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.533282 (E_RNA)
where:
Base-Base interactions energy: -126.085
where: short stacking energy: -61.781
Base-Backbone interact. energy: -0.009
local terms energy: -79.439192
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -13.705
tors. eta vs tors. theta energy: -15.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -219.039750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.039750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.039750 (E_RNA)
where:
Base-Base interactions energy: -138.557
where: short stacking energy: -69.834
Base-Backbone interact. energy: -0.004
local terms energy: -80.479214
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -23.908
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: 5, replica: 7
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -172.055057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.055057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.055057 (E_RNA)
where:
Base-Base interactions energy: -104.211
where: short stacking energy: -53.090
Base-Backbone interact. energy: -0.079
local terms energy: -67.764933
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -13.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -169.292798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.292798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.292798 (E_RNA)
where:
Base-Base interactions energy: -105.011
where: short stacking energy: -48.737
Base-Backbone interact. energy: -0.143
local terms energy: -64.138691
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -9.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -102.809063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.809063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.809063 (E_RNA)
where:
Base-Base interactions energy: -50.318
where: short stacking energy: -50.318
Base-Backbone interact. energy: -0.597
local terms energy: -51.894130
where:
bonds (distance) C4'-P energy: -10.863
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -6.159
tors. eta vs tors. theta energy: -10.348
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: 145
Temperature: 1.250000
Total energy: -90.479740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.479740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.479740 (E_RNA)
where:
Base-Base interactions energy: -37.649
where: short stacking energy: -36.580
Base-Backbone interact. energy: -0.192
local terms energy: -52.639354
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -5.413
tors. eta vs tors. theta energy: -7.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -91.008377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.008377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.008377 (E_RNA)
where:
Base-Base interactions energy: -31.542
where: short stacking energy: -29.902
Base-Backbone interact. energy: -2.068
local terms energy: -57.398140
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -7.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -78.445294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.445294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.445294 (E_RNA)
where:
Base-Base interactions energy: -25.195
where: short stacking energy: -24.692
Base-Backbone interact. energy: 1.567
local terms energy: -54.816784
where:
bonds (distance) C4'-P energy: -17.980
bonds (distance) P-C4' energy: -20.463
flat angles C4'-P-C4' energy: -8.882
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -0.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -238.208079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.208079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.208079 (E_RNA)
where:
Base-Base interactions energy: -157.144
where: short stacking energy: -77.780
Base-Backbone interact. energy: 1.106
local terms energy: -82.170595
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -19.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -209.567900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.567900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.567900 (E_RNA)
where:
Base-Base interactions energy: -141.882
where: short stacking energy: -56.925
Base-Backbone interact. energy: -0.977
local terms energy: -66.708863
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -6.471
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: 3, replica: 1
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -220.475860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.475860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.475860 (E_RNA)
where:
Base-Base interactions energy: -139.720
where: short stacking energy: -74.647
Base-Backbone interact. energy: -0.006
local terms energy: -80.750349
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: -20.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -203.996377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.996377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.996377 (E_RNA)
where:
Base-Base interactions energy: -135.621
where: short stacking energy: -54.523
Base-Backbone interact. energy: -0.610
local terms energy: -67.765997
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -12.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -184.788984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.788984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.788984 (E_RNA)
where:
Base-Base interactions energy: -111.125
where: short stacking energy: -55.079
Base-Backbone interact. energy: -0.198
local terms energy: -73.466279
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -15.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -176.684336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.684336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.684336 (E_RNA)
where:
Base-Base interactions energy: -110.799
where: short stacking energy: -52.214
Base-Backbone interact. energy: -0.029
local terms energy: -65.856508
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -14.316
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: 3
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -107.926012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.926012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.926012 (E_RNA)
where:
Base-Base interactions energy: -38.647
where: short stacking energy: -36.541
Base-Backbone interact. energy: -0.255
local terms energy: -69.024660
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -10.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -93.190059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.190059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.190059 (E_RNA)
where:
Base-Base interactions energy: -33.348
where: short stacking energy: -27.662
Base-Backbone interact. energy: 0.404
local terms energy: -60.245835
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -15.658
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -8.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -80.941919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.941919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.941919 (E_RNA)
where:
Base-Base interactions energy: -28.549
where: short stacking energy: -28.549
Base-Backbone interact. energy: -0.125
local terms energy: -52.268413
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -4.873
tors. eta vs tors. theta energy: -2.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -95.253646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.253646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.253646 (E_RNA)
where:
Base-Base interactions energy: -34.326
where: short stacking energy: -33.720
Base-Backbone interact. energy: -0.019
local terms energy: -60.908269
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -9.663
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: 1, replica: 4
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -237.960785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.960785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.960785 (E_RNA)
where:
Base-Base interactions energy: -160.093
where: short stacking energy: -78.133
Base-Backbone interact. energy: -0.184
local terms energy: -77.683902
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -19.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -231.473158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.473158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.473158 (E_RNA)
where:
Base-Base interactions energy: -145.876
where: short stacking energy: -84.673
Base-Backbone interact. energy: -0.607
local terms energy: -84.990281
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -24.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -220.081993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.081993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.081993 (E_RNA)
where:
Base-Base interactions energy: -155.379
where: short stacking energy: -57.406
Base-Backbone interact. energy: -0.208
local terms energy: -64.494762
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -11.423
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: 6
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -187.738874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.738874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.738874 (E_RNA)
where:
Base-Base interactions energy: -113.361
where: short stacking energy: -65.451
Base-Backbone interact. energy: 1.358
local terms energy: -75.735957
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -14.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -201.173936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.173936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.173936 (E_RNA)
where:
Base-Base interactions energy: -124.453
where: short stacking energy: -57.485
Base-Backbone interact. energy: -0.014
local terms energy: -76.706823
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -19.429
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -8.315
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: 6, replica: 7
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -179.118041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.118041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.118041 (E_RNA)
where:
Base-Base interactions energy: -102.606
where: short stacking energy: -59.407
Base-Backbone interact. energy: -0.025
local terms energy: -76.487330
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -22.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -95.962672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.962672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.962672 (E_RNA)
where:
Base-Base interactions energy: -45.929
where: short stacking energy: -25.089
Base-Backbone interact. energy: 0.278
local terms energy: -50.312154
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -18.653
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -6.498
tors. eta vs tors. theta energy: 0.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -98.770685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.770685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.770685 (E_RNA)
where:
Base-Base interactions energy: -39.303
where: short stacking energy: -39.303
Base-Backbone interact. energy: -0.160
local terms energy: -59.307958
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -6.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -89.848938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.848938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.848938 (E_RNA)
where:
Base-Base interactions energy: -48.816
where: short stacking energy: -31.541
Base-Backbone interact. energy: -0.473
local terms energy: -40.560281
where:
bonds (distance) C4'-P energy: -9.947
bonds (distance) P-C4' energy: -10.626
flat angles C4'-P-C4' energy: -10.728
flat angles P-C4'-P energy: -8.164
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: 8
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -88.879135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.879135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.879135 (E_RNA)
where:
Base-Base interactions energy: -32.462
where: short stacking energy: -23.089
Base-Backbone interact. energy: -0.332
local terms energy: -56.085199
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: 1.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -235.286214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.286214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.286214 (E_RNA)
where:
Base-Base interactions energy: -160.042
where: short stacking energy: -67.246
Base-Backbone interact. energy: -0.354
local terms energy: -74.890385
where:
bonds (distance) C4'-P energy: -16.005
bonds (distance) P-C4' energy: -17.617
flat angles C4'-P-C4' energy: -17.929
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -12.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -245.875059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.875059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.875059 (E_RNA)
where:
Base-Base interactions energy: -156.061
where: short stacking energy: -73.194
Base-Backbone interact. energy: -0.017
local terms energy: -89.796944
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -18.811
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -23.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -223.333316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.333316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.333316 (E_RNA)
where:
Base-Base interactions energy: -149.830
where: short stacking energy: -59.352
Base-Backbone interact. energy: -0.183
local terms energy: -73.320944
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -11.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -190.895351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.895351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.895351 (E_RNA)
where:
Base-Base interactions energy: -116.409
where: short stacking energy: -63.468
Base-Backbone interact. energy: 0.126
local terms energy: -74.611871
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -19.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -209.391207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.391207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.391207 (E_RNA)
where:
Base-Base interactions energy: -139.001
where: short stacking energy: -68.070
Base-Backbone interact. energy: 0.085
local terms energy: -70.475509
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -10.785
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: 6, replica: 7
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -179.951908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.951908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.951908 (E_RNA)
where:
Base-Base interactions energy: -99.756
where: short stacking energy: -56.928
Base-Backbone interact. energy: -0.084
local terms energy: -80.111457
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -17.876
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -15.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -95.424733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.424733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.424733 (E_RNA)
where:
Base-Base interactions energy: -41.726
where: short stacking energy: -29.887
Base-Backbone interact. energy: 1.624
local terms energy: -55.322272
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -18.424
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -0.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -84.463360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.463360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.463360 (E_RNA)
where:
Base-Base interactions energy: -27.118
where: short stacking energy: -24.189
Base-Backbone interact. energy: -1.356
local terms energy: -55.989321
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: 0.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -82.479380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.479380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.479380 (E_RNA)
where:
Base-Base interactions energy: -29.376
where: short stacking energy: -28.537
Base-Backbone interact. energy: -0.133
local terms energy: -52.970594
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -10.043
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -0.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -91.708592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.708592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.708592 (E_RNA)
where:
Base-Base interactions energy: -40.308
where: short stacking energy: -33.447
Base-Backbone interact. energy: -0.102
local terms energy: -51.299021
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -7.465
flat angles P-C4'-P energy: -10.952
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: 1, replica: 4
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -237.085330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.085330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.085330 (E_RNA)
where:
Base-Base interactions energy: -145.629
where: short stacking energy: -77.638
Base-Backbone interact. energy: -0.305
local terms energy: -91.151608
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -18.996
flat angles C4'-P-C4' energy: -19.661
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -21.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -231.442086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.442086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.442086 (E_RNA)
where:
Base-Base interactions energy: -152.657
where: short stacking energy: -84.863
Base-Backbone interact. energy: -0.579
local terms energy: -78.206037
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -10.791
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -24.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -216.445041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.445041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.445041 (E_RNA)
where:
Base-Base interactions energy: -148.651
where: short stacking energy: -62.995
Base-Backbone interact. energy: -0.035
local terms energy: -67.758653
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -13.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -193.659269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.659269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.659269 (E_RNA)
where:
Base-Base interactions energy: -121.920
where: short stacking energy: -59.038
Base-Backbone interact. energy: -0.061
local terms energy: -71.678360
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -10.832
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -13.981
tors. eta vs tors. theta energy: -16.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -155.111331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.111331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.111331 (E_RNA)
where:
Base-Base interactions energy: -89.907
where: short stacking energy: -51.892
Base-Backbone interact. energy: -0.010
local terms energy: -65.194244
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -17.369
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: -14.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -173.096588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.096588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.096588 (E_RNA)
where:
Base-Base interactions energy: -108.674
where: short stacking energy: -48.600
Base-Backbone interact. energy: -0.136
local terms energy: -64.286532
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -10.330
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -9.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -108.219260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.219260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.219260 (E_RNA)
where:
Base-Base interactions energy: -57.652
where: short stacking energy: -33.537
Base-Backbone interact. energy: -0.237
local terms energy: -50.330830
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -3.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -92.655169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.655169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.655169 (E_RNA)
where:
Base-Base interactions energy: -44.214
where: short stacking energy: -44.214
Base-Backbone interact. energy: -0.981
local terms energy: -47.459862
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -9.000
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -6.489
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: 9, replica: 10
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -78.598734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.598734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.598734 (E_RNA)
where:
Base-Base interactions energy: -33.512
where: short stacking energy: -33.512
Base-Backbone interact. energy: -0.082
local terms energy: -45.005013
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -5.829
tors. eta vs tors. theta energy: 1.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -80.109385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.109385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.109385 (E_RNA)
where:
Base-Base interactions energy: -34.081
where: short stacking energy: -19.481
Base-Backbone interact. energy: 1.864
local terms energy: -47.892263
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: 4.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -229.367406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.367406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.367406 (E_RNA)
where:
Base-Base interactions energy: -148.035
where: short stacking energy: -76.168
Base-Backbone interact. energy: -0.711
local terms energy: -80.621772
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -13.575
tors. eta vs tors. theta energy: -22.460
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: 2, replica: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -216.861253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.861253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.861253 (E_RNA)
where:
Base-Base interactions energy: -137.358
where: short stacking energy: -71.707
Base-Backbone interact. energy: -0.003
local terms energy: -79.499982
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -9.466
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: 2
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -207.421255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.421255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.421255 (E_RNA)
where:
Base-Base interactions energy: -140.965
where: short stacking energy: -73.808
Base-Backbone interact. energy: -0.031
local terms energy: -66.424914
where:
bonds (distance) C4'-P energy: -9.673
bonds (distance) P-C4' energy: -10.931
flat angles C4'-P-C4' energy: -18.797
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -17.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -212.661714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.661714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.661714 (E_RNA)
where:
Base-Base interactions energy: -144.590
where: short stacking energy: -57.713
Base-Backbone interact. energy: -0.567
local terms energy: -67.504135
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: -14.840
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: 7
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -181.634140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.634140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.634140 (E_RNA)
where:
Base-Base interactions energy: -115.169
where: short stacking energy: -49.368
Base-Backbone interact. energy: -0.302
local terms energy: -66.163726
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -8.848
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: 6
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -157.233330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.233330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.233330 (E_RNA)
where:
Base-Base interactions energy: -97.063
where: short stacking energy: -48.767
Base-Backbone interact. energy: -0.084
local terms energy: -60.086578
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -9.325
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -9.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -93.002378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.002378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.002378 (E_RNA)
where:
Base-Base interactions energy: -37.231
where: short stacking energy: -37.231
Base-Backbone interact. energy: -0.224
local terms energy: -55.546705
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -11.377
flat angles P-C4'-P energy: -7.648
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: 8, replica: 3
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -106.661936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.661936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.661936 (E_RNA)
where:
Base-Base interactions energy: -44.896
where: short stacking energy: -41.055
Base-Backbone interact. energy: -0.047
local terms energy: -61.719285
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -7.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -86.840837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.840837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.840837 (E_RNA)
where:
Base-Base interactions energy: -45.747
where: short stacking energy: -29.541
Base-Backbone interact. energy: 0.840
local terms energy: -41.933379
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -14.288
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -1.986
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: 10, replica: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -74.222962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.222962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.222962 (E_RNA)
where:
Base-Base interactions energy: -24.344
where: short stacking energy: -22.466
Base-Backbone interact. energy: -0.648
local terms energy: -49.230689
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: 0.264
tors. eta vs tors. theta energy: -2.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -237.407306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.407306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.407306 (E_RNA)
where:
Base-Base interactions energy: -149.347
where: short stacking energy: -77.539
Base-Backbone interact. energy: -0.100
local terms energy: -87.960184
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -20.518
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -20.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -227.297524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.297524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.297524 (E_RNA)
where:
Base-Base interactions energy: -143.032
where: short stacking energy: -66.862
Base-Backbone interact. energy: 0.287
local terms energy: -84.552864
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -18.195
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -24.047
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: 3, replica: 2
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -217.953764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.953764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.953764 (E_RNA)
where:
Base-Base interactions energy: -136.660
where: short stacking energy: -70.180
Base-Backbone interact. energy: -0.006
local terms energy: -81.286983
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -16.112
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -17.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -192.557382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.557382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.557382 (E_RNA)
where:
Base-Base interactions energy: -122.146
where: short stacking energy: -64.887
Base-Backbone interact. energy: -0.207
local terms energy: -70.203607
where:
bonds (distance) C4'-P energy: -16.530
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -12.710
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: 5
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -210.190946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.190946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.190946 (E_RNA)
where:
Base-Base interactions energy: -134.332
where: short stacking energy: -56.119
Base-Backbone interact. energy: -0.305
local terms energy: -75.554767
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -15.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -167.505138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.505138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.505138 (E_RNA)
where:
Base-Base interactions energy: -107.982
where: short stacking energy: -50.802
Base-Backbone interact. energy: 1.179
local terms energy: -60.701866
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -12.314
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: 8
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -90.292740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.292740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.292740 (E_RNA)
where:
Base-Base interactions energy: -32.451
where: short stacking energy: -24.725
Base-Backbone interact. energy: -0.017
local terms energy: -57.824428
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -2.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -94.137107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.137107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.137107 (E_RNA)
where:
Base-Base interactions energy: -47.290
where: short stacking energy: -26.129
Base-Backbone interact. energy: -0.166
local terms energy: -46.680659
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -5.018
tors. eta vs tors. theta energy: 1.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -79.379819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.379819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.379819 (E_RNA)
where:
Base-Base interactions energy: -40.164
where: short stacking energy: -27.104
Base-Backbone interact. energy: -0.588
local terms energy: -38.628131
where:
bonds (distance) C4'-P energy: -9.663
bonds (distance) P-C4' energy: -9.379
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -5.754
tors. eta vs tors. theta energy: -0.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -79.736736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.736736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.736736 (E_RNA)
where:
Base-Base interactions energy: -45.947
where: short stacking energy: -24.915
Base-Backbone interact. energy: -0.736
local terms energy: -33.053521
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -11.791
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -2.099
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: 1
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -235.747360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.747360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.747360 (E_RNA)
where:
Base-Base interactions energy: -145.170
where: short stacking energy: -79.318
Base-Backbone interact. energy: -0.016
local terms energy: -90.561317
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -19.366
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -25.575
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: 152
Temperature: 0.950000
Total energy: -224.167095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.167095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.167095 (E_RNA)
where:
Base-Base interactions energy: -144.106
where: short stacking energy: -76.182
Base-Backbone interact. energy: -0.449
local terms energy: -79.611894
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -21.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -206.235635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.235635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.235635 (E_RNA)
where:
Base-Base interactions energy: -128.678
where: short stacking energy: -68.809
Base-Backbone interact. energy: -0.255
local terms energy: -77.302533
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -17.486
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -16.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -190.640213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.640213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.640213 (E_RNA)
where:
Base-Base interactions energy: -125.725
where: short stacking energy: -54.882
Base-Backbone interact. energy: -0.139
local terms energy: -64.775762
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -11.459
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -7.344
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: 5, replica: 6
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -178.406050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.406050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.406050 (E_RNA)
where:
Base-Base interactions energy: -110.858
where: short stacking energy: -57.293
Base-Backbone interact. energy: -0.006
local terms energy: -67.541992
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -13.136
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -5.416
tors. eta vs tors. theta energy: -14.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -191.280487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.280487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.280487 (E_RNA)
where:
Base-Base interactions energy: -129.975
where: short stacking energy: -60.178
Base-Backbone interact. energy: -0.374
local terms energy: -60.931354
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -3.367
tors. eta vs tors. theta energy: -11.944
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: 7, replica: 9
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -90.061196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.061196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.061196 (E_RNA)
where:
Base-Base interactions energy: -39.649
where: short stacking energy: -34.736
Base-Backbone interact. energy: 1.303
local terms energy: -51.715455
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -4.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -128.749872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.749872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.749872 (E_RNA)
where:
Base-Base interactions energy: -66.633
where: short stacking energy: -34.122
Base-Backbone interact. energy: -0.366
local terms energy: -61.751120
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -12.824
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: 9, replica: 10
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -86.577227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.577227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.577227 (E_RNA)
where:
Base-Base interactions energy: -39.052
where: short stacking energy: -33.530
Base-Backbone interact. energy: 0.449
local terms energy: -47.974273
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -4.219
tors. eta vs tors. theta energy: 1.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -84.504142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.504142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.504142 (E_RNA)
where:
Base-Base interactions energy: -28.332
where: short stacking energy: -22.702
Base-Backbone interact. energy: -0.059
local terms energy: -56.112784
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -5.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -231.530210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.530210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.530210 (E_RNA)
where:
Base-Base interactions energy: -156.196
where: short stacking energy: -71.188
Base-Backbone interact. energy: -0.162
local terms energy: -75.172439
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -18.510
flat angles P-C4'-P energy: -11.962
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: 2, replica: 4
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -236.322035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.322035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.322035 (E_RNA)
where:
Base-Base interactions energy: -151.847
where: short stacking energy: -80.104
Base-Backbone interact. energy: -0.134
local terms energy: -84.340924
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -22.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -214.857931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.857931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.857931 (E_RNA)
where:
Base-Base interactions energy: -144.093
where: short stacking energy: -67.644
Base-Backbone interact. energy: -0.009
local terms energy: -70.755763
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -10.497
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -17.635
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: 4, replica: 7
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -182.672357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.672357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.672357 (E_RNA)
where:
Base-Base interactions energy: -122.059
where: short stacking energy: -49.423
Base-Backbone interact. energy: -0.450
local terms energy: -60.163662
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -12.622
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -6.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -177.675332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.675332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.675332 (E_RNA)
where:
Base-Base interactions energy: -110.296
where: short stacking energy: -54.705
Base-Backbone interact. energy: -0.095
local terms energy: -67.283696
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -14.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -194.579341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.579341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.579341 (E_RNA)
where:
Base-Base interactions energy: -127.834
where: short stacking energy: -51.454
Base-Backbone interact. energy: -0.310
local terms energy: -66.435493
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -17.118
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -8.933
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: 9
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -93.596823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.596823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.596823 (E_RNA)
where:
Base-Base interactions energy: -35.981
where: short stacking energy: -35.981
Base-Backbone interact. energy: -0.190
local terms energy: -57.425564
where:
bonds (distance) C4'-P energy: -16.315
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -7.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -134.066267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.066267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.066267 (E_RNA)
where:
Base-Base interactions energy: -69.679
where: short stacking energy: -31.862
Base-Backbone interact. energy: -0.790
local terms energy: -63.597493
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -5.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -98.463852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.463852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.463852 (E_RNA)
where:
Base-Base interactions energy: -44.539
where: short stacking energy: -40.402
Base-Backbone interact. energy: -0.261
local terms energy: -53.663105
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -4.789
tors. eta vs tors. theta energy: -4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -85.620878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.620878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.620878 (E_RNA)
where:
Base-Base interactions energy: -27.245
where: short stacking energy: -25.583
Base-Backbone interact. energy: -0.037
local terms energy: -58.338282
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -12.040
flat angles C4'-P-C4' energy: -19.102
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -3.534
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: 1
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -225.904953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.904953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.904953 (E_RNA)
where:
Base-Base interactions energy: -146.941
where: short stacking energy: -68.403
Base-Backbone interact. energy: -0.067
local terms energy: -78.896702
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -15.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -229.585222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.585222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.585222 (E_RNA)
where:
Base-Base interactions energy: -152.805
where: short stacking energy: -68.888
Base-Backbone interact. energy: -0.039
local terms energy: -76.741378
where:
bonds (distance) C4'-P energy: -18.754
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -16.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -188.418577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.418577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.418577 (E_RNA)
where:
Base-Base interactions energy: -126.063
where: short stacking energy: -55.032
Base-Backbone interact. energy: -0.032
local terms energy: -62.323708
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -16.732
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -7.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -208.831190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.831190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.831190 (E_RNA)
where:
Base-Base interactions energy: -128.776
where: short stacking energy: -70.590
Base-Backbone interact. energy: -0.015
local terms energy: -80.040484
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -18.769
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -17.209
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: 154
Temperature: 1.100000
Total energy: -206.902782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.902782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.902782 (E_RNA)
where:
Base-Base interactions energy: -153.847
where: short stacking energy: -55.462
Base-Backbone interact. energy: -0.794
local terms energy: -52.261805
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -6.895
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -10.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -168.581425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.581425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.581425 (E_RNA)
where:
Base-Base interactions energy: -111.073
where: short stacking energy: -47.857
Base-Backbone interact. energy: 0.849
local terms energy: -58.357548
where:
bonds (distance) C4'-P energy: -11.219
bonds (distance) P-C4' energy: -12.245
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -11.648
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: 8
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -132.664794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.664794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.664794 (E_RNA)
where:
Base-Base interactions energy: -77.289
where: short stacking energy: -43.497
Base-Backbone interact. energy: -0.288
local terms energy: -55.088007
where:
bonds (distance) C4'-P energy: -9.139
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -7.525
tors. eta vs tors. theta energy: -8.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -95.278309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.278309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.278309 (E_RNA)
where:
Base-Base interactions energy: -34.302
where: short stacking energy: -25.701
Base-Backbone interact. energy: -1.759
local terms energy: -59.217460
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -3.719
tors. eta vs tors. theta energy: -7.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -91.591732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.591732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.591732 (E_RNA)
where:
Base-Base interactions energy: -31.996
where: short stacking energy: -31.996
Base-Backbone interact. energy: 1.415
local terms energy: -61.011386
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -7.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -86.458180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.458180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.458180 (E_RNA)
where:
Base-Base interactions energy: -37.830
where: short stacking energy: -28.007
Base-Backbone interact. energy: 1.576
local terms energy: -50.203957
where:
bonds (distance) C4'-P energy: -9.894
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -0.813
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: 1, replica: 1
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -227.464616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.464616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.464616 (E_RNA)
where:
Base-Base interactions energy: -151.348
where: short stacking energy: -72.033
Base-Backbone interact. energy: -0.056
local terms energy: -76.060126
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -12.784
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -24.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -198.547855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.547855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.547855 (E_RNA)
where:
Base-Base interactions energy: -126.088
where: short stacking energy: -60.578
Base-Backbone interact. energy: -0.483
local terms energy: -71.976573
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -19.494
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -11.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -208.006696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.006696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.006696 (E_RNA)
where:
Base-Base interactions energy: -127.919
where: short stacking energy: -67.184
Base-Backbone interact. energy: -0.139
local terms energy: -79.949145
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -18.955
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -19.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -217.866923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.866923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.866923 (E_RNA)
where:
Base-Base interactions energy: -151.773
where: short stacking energy: -56.468
Base-Backbone interact. energy: -1.151
local terms energy: -64.942973
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -10.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -192.995614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.995614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.995614 (E_RNA)
where:
Base-Base interactions energy: -124.484
where: short stacking energy: -56.299
Base-Backbone interact. energy: -0.004
local terms energy: -68.507528
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -15.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -170.543785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.543785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.543785 (E_RNA)
where:
Base-Base interactions energy: -103.584
where: short stacking energy: -45.804
Base-Backbone interact. energy: -0.146
local terms energy: -66.813182
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -9.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -146.695019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.695019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.695019 (E_RNA)
where:
Base-Base interactions energy: -97.522
where: short stacking energy: -39.865
Base-Backbone interact. energy: -0.312
local terms energy: -48.861248
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -10.354
flat angles P-C4'-P energy: -10.216
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: 3
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -99.618399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.618399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.618399 (E_RNA)
where:
Base-Base interactions energy: -48.400
where: short stacking energy: -29.992
Base-Backbone interact. energy: -0.065
local terms energy: -51.152775
where:
bonds (distance) C4'-P energy: -18.061
bonds (distance) P-C4' energy: -8.465
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -2.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -86.003249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.003249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.003249 (E_RNA)
where:
Base-Base interactions energy: -28.842
where: short stacking energy: -23.554
Base-Backbone interact. energy: -0.249
local terms energy: -56.912537
where:
bonds (distance) C4'-P energy: -17.467
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -9.469
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -2.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -82.516810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.516810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.516810 (E_RNA)
where:
Base-Base interactions energy: -28.875
where: short stacking energy: -27.412
Base-Backbone interact. energy: 0.371
local terms energy: -54.012475
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -3.061
tors. eta vs tors. theta energy: -2.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -234.713154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.713154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.713154 (E_RNA)
where:
Base-Base interactions energy: -150.625
where: short stacking energy: -75.298
Base-Backbone interact. energy: -0.635
local terms energy: -83.453329
where:
bonds (distance) C4'-P energy: -10.151
bonds (distance) P-C4' energy: -15.891
flat angles C4'-P-C4' energy: -19.144
flat angles P-C4'-P energy: -15.314
tors. eta vs tors. theta energy: -22.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -202.890578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.890578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.890578 (E_RNA)
where:
Base-Base interactions energy: -128.637
where: short stacking energy: -56.825
Base-Backbone interact. energy: -0.074
local terms energy: -74.179433
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -20.465
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -13.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -224.079102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.079102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.079102 (E_RNA)
where:
Base-Base interactions energy: -153.061
where: short stacking energy: -64.217
Base-Backbone interact. energy: 0.355
local terms energy: -71.372359
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -12.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -185.889790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.889790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.889790 (E_RNA)
where:
Base-Base interactions energy: -109.163
where: short stacking energy: -48.542
Base-Backbone interact. energy: -0.086
local terms energy: -76.640430
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: -13.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -183.673540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.673540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.673540 (E_RNA)
where:
Base-Base interactions energy: -108.535
where: short stacking energy: -56.136
Base-Backbone interact. energy: -0.063
local terms energy: -75.075350
where:
bonds (distance) C4'-P energy: -18.699
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -17.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -186.883253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.883253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.883253 (E_RNA)
where:
Base-Base interactions energy: -118.609
where: short stacking energy: -51.423
Base-Backbone interact. energy: -0.043
local terms energy: -68.230832
where:
bonds (distance) C4'-P energy: -17.669
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -11.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -153.764345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.764345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.764345 (E_RNA)
where:
Base-Base interactions energy: -86.258
where: short stacking energy: -48.102
Base-Backbone interact. energy: -0.024
local terms energy: -67.481800
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -19.479
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -10.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -100.200041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.200041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.200041 (E_RNA)
where:
Base-Base interactions energy: -40.329
where: short stacking energy: -39.505
Base-Backbone interact. energy: -0.118
local terms energy: -59.752482
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -9.644
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: 9, replica: 10
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -96.560334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.560334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.560334 (E_RNA)
where:
Base-Base interactions energy: -41.866
where: short stacking energy: -33.178
Base-Backbone interact. energy: -0.121
local terms energy: -54.572954
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -9.172
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -9.099
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: 9
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -82.979022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.979022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.979022 (E_RNA)
where:
Base-Base interactions energy: -30.041
where: short stacking energy: -27.981
Base-Backbone interact. energy: 0.295
local terms energy: -53.232646
where:
bonds (distance) C4'-P energy: -17.669
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -8.425
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -4.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -236.723865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.723865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.723865 (E_RNA)
where:
Base-Base interactions energy: -147.014
where: short stacking energy: -79.450
Base-Backbone interact. energy: -0.013
local terms energy: -89.697220
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -22.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -226.666572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.666572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.666572 (E_RNA)
where:
Base-Base interactions energy: -155.592
where: short stacking energy: -62.760
Base-Backbone interact. energy: -0.212
local terms energy: -70.862868
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -12.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -211.254920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.254920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.254920 (E_RNA)
where:
Base-Base interactions energy: -129.756
where: short stacking energy: -66.387
Base-Backbone interact. energy: -0.052
local terms energy: -81.446894
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -22.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -165.849245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.849245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.849245 (E_RNA)
where:
Base-Base interactions energy: -90.989
where: short stacking energy: -48.626
Base-Backbone interact. energy: -0.333
local terms energy: -74.527869
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -11.311
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: 5, replica: 4
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -180.535826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.535826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.535826 (E_RNA)
where:
Base-Base interactions energy: -114.939
where: short stacking energy: -54.716
Base-Backbone interact. energy: -0.162
local terms energy: -65.435020
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -8.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -189.055844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.055844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.055844 (E_RNA)
where:
Base-Base interactions energy: -121.700
where: short stacking energy: -50.974
Base-Backbone interact. energy: -0.050
local terms energy: -67.305873
where:
bonds (distance) C4'-P energy: -15.798
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -6.992
tors. eta vs tors. theta energy: -17.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -160.917723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.917723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.917723 (E_RNA)
where:
Base-Base interactions energy: -92.064
where: short stacking energy: -45.824
Base-Backbone interact. energy: 0.073
local terms energy: -68.926811
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -12.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -99.365355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.365355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.365355 (E_RNA)
where:
Base-Base interactions energy: -49.288
where: short stacking energy: -26.330
Base-Backbone interact. energy: 0.069
local terms energy: -50.146014
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: 1.529
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: 9, replica: 3
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -89.836758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.836758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.836758 (E_RNA)
where:
Base-Base interactions energy: -30.298
where: short stacking energy: -29.165
Base-Backbone interact. energy: -0.232
local terms energy: -59.306720
where:
bonds (distance) C4'-P energy: -10.502
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -0.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -75.527510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.527510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.527510 (E_RNA)
where:
Base-Base interactions energy: -25.735
where: short stacking energy: -20.291
Base-Backbone interact. energy: -0.113
local terms energy: -49.680055
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -10.046
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -0.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -243.467681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.467681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.467681 (E_RNA)
where:
Base-Base interactions energy: -168.332
where: short stacking energy: -68.550
Base-Backbone interact. energy: -0.267
local terms energy: -74.868148
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -12.387
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: 1
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -212.831023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.831023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.831023 (E_RNA)
where:
Base-Base interactions energy: -138.116
where: short stacking energy: -66.116
Base-Backbone interact. energy: -0.074
local terms energy: -74.640332
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -11.825
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: 3, replica: 7
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -210.310427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.310427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.310427 (E_RNA)
where:
Base-Base interactions energy: -137.535
where: short stacking energy: -60.622
Base-Backbone interact. energy: -0.073
local terms energy: -72.702483
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -17.617
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -13.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -189.207334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.207334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.207334 (E_RNA)
where:
Base-Base interactions energy: -121.406
where: short stacking energy: -58.273
Base-Backbone interact. energy: -0.040
local terms energy: -67.760811
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -13.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -177.435973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.435973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.435973 (E_RNA)
where:
Base-Base interactions energy: -104.176
where: short stacking energy: -58.551
Base-Backbone interact. energy: -0.020
local terms energy: -73.239542
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -15.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -170.731106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.731106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.731106 (E_RNA)
where:
Base-Base interactions energy: -101.082
where: short stacking energy: -63.195
Base-Backbone interact. energy: -0.035
local terms energy: -69.614473
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -15.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -131.802784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.802784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.802784 (E_RNA)
where:
Base-Base interactions energy: -79.209
where: short stacking energy: -38.617
Base-Backbone interact. energy: -0.106
local terms energy: -52.487543
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -9.775
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -7.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -108.730322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.730322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.730322 (E_RNA)
where:
Base-Base interactions energy: -60.240
where: short stacking energy: -53.103
Base-Backbone interact. energy: 0.309
local terms energy: -48.798875
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -10.045
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -4.383
tors. eta vs tors. theta energy: -8.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -90.345591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.345591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.345591 (E_RNA)
where:
Base-Base interactions energy: -45.130
where: short stacking energy: -38.966
Base-Backbone interact. energy: 0.036
local terms energy: -45.251370
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -9.166
flat angles P-C4'-P energy: -3.510
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: 10, replica: 3
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -87.691316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.691316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.691316 (E_RNA)
where:
Base-Base interactions energy: -39.738
where: short stacking energy: -38.817
Base-Backbone interact. energy: -0.204
local terms energy: -47.748773
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -9.025
flat angles C4'-P-C4' energy: -11.031
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -5.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -243.438489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.438489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.438489 (E_RNA)
where:
Base-Base interactions energy: -168.025
where: short stacking energy: -68.709
Base-Backbone interact. energy: -0.927
local terms energy: -74.486375
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -14.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -198.454037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.454037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.454037 (E_RNA)
where:
Base-Base interactions energy: -128.768
where: short stacking energy: -59.609
Base-Backbone interact. energy: -0.082
local terms energy: -69.604361
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: -9.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -227.069239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.069239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.069239 (E_RNA)
where:
Base-Base interactions energy: -147.195
where: short stacking energy: -77.774
Base-Backbone interact. energy: -0.005
local terms energy: -79.869265
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -22.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -186.559924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.559924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.559924 (E_RNA)
where:
Base-Base interactions energy: -118.113
where: short stacking energy: -70.166
Base-Backbone interact. energy: -0.339
local terms energy: -68.108209
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -18.321
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -16.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -155.796153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.796153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.796153 (E_RNA)
where:
Base-Base interactions energy: -86.755
where: short stacking energy: -54.229
Base-Backbone interact. energy: -0.186
local terms energy: -68.854774
where:
bonds (distance) C4'-P energy: -15.906
bonds (distance) P-C4' energy: -17.747
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -11.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -157.103963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.103963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.103963 (E_RNA)
where:
Base-Base interactions energy: -95.631
where: short stacking energy: -46.984
Base-Backbone interact. energy: -0.101
local terms energy: -61.371559
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -6.627
tors. eta vs tors. theta energy: -12.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -92.061193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.061193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.061193 (E_RNA)
where:
Base-Base interactions energy: -33.687
where: short stacking energy: -24.080
Base-Backbone interact. energy: -0.680
local terms energy: -57.694118
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: -4.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -94.211021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.211021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.211021 (E_RNA)
where:
Base-Base interactions energy: -42.675
where: short stacking energy: -39.286
Base-Backbone interact. energy: -0.228
local terms energy: -51.307938
where:
bonds (distance) C4'-P energy: -10.470
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -8.100
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -6.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -82.153352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.153352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.153352 (E_RNA)
where:
Base-Base interactions energy: -38.408
where: short stacking energy: -30.325
Base-Backbone interact. energy: 0.998
local terms energy: -44.743500
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -11.397
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -4.865
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: 3
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -80.412328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.412328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.412328 (E_RNA)
where:
Base-Base interactions energy: -25.322
where: short stacking energy: -24.766
Base-Backbone interact. energy: -0.052
local terms energy: -55.039286
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -11.155
flat angles P-C4'-P energy: -7.362
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: 1, replica: 7
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -205.556345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.556345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.556345 (E_RNA)
where:
Base-Base interactions energy: -126.834
where: short stacking energy: -63.679
Base-Backbone interact. energy: -0.333
local terms energy: -78.389508
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -12.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -233.814020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.814020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.814020 (E_RNA)
where:
Base-Base interactions energy: -167.752
where: short stacking energy: -60.722
Base-Backbone interact. energy: 2.074
local terms energy: -68.135635
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -11.868
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: 1
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -239.825909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.825909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.825909 (E_RNA)
where:
Base-Base interactions energy: -156.171
where: short stacking energy: -79.688
Base-Backbone interact. energy: -0.009
local terms energy: -83.645501
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -25.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -196.268021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.268021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.268021 (E_RNA)
where:
Base-Base interactions energy: -119.302
where: short stacking energy: -64.451
Base-Backbone interact. energy: -0.087
local terms energy: -76.878697
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -10.648
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: 5, replica: 4
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -171.630624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.630624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.630624 (E_RNA)
where:
Base-Base interactions energy: -99.286
where: short stacking energy: -55.795
Base-Backbone interact. energy: -0.272
local terms energy: -72.072487
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -12.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -147.640104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.640104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.640104 (E_RNA)
where:
Base-Base interactions energy: -89.312
where: short stacking energy: -50.827
Base-Backbone interact. energy: -0.269
local terms energy: -58.058980
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -3.590
tors. eta vs tors. theta energy: -10.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -116.387699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.387699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.387699 (E_RNA)
where:
Base-Base interactions energy: -45.043
where: short stacking energy: -42.720
Base-Backbone interact. energy: -0.080
local terms energy: -71.265275
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -9.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -101.810729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.810729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.810729 (E_RNA)
where:
Base-Base interactions energy: -45.826
where: short stacking energy: -30.471
Base-Backbone interact. energy: -0.771
local terms energy: -55.212959
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -18.062
flat angles C4'-P-C4' energy: -6.434
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -2.440
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: 3
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -98.704254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.704254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.704254 (E_RNA)
where:
Base-Base interactions energy: -44.178
where: short stacking energy: -42.995
Base-Backbone interact. energy: -0.005
local terms energy: -54.520623
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -1.813
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: 10, replica: 10
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -86.821046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.821046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.821046 (E_RNA)
where:
Base-Base interactions energy: -34.366
where: short stacking energy: -22.789
Base-Backbone interact. energy: -0.191
local terms energy: -52.264795
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: 2.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -210.142607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.142607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.142607 (E_RNA)
where:
Base-Base interactions energy: -123.676
where: short stacking energy: -61.835
Base-Backbone interact. energy: -0.003
local terms energy: -86.463795
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -18.623
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -20.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -234.061887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.061887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.061887 (E_RNA)
where:
Base-Base interactions energy: -162.163
where: short stacking energy: -67.215
Base-Backbone interact. energy: -0.873
local terms energy: -71.025899
where:
bonds (distance) C4'-P energy: -18.712
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -12.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -213.401203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.401203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.401203 (E_RNA)
where:
Base-Base interactions energy: -140.642
where: short stacking energy: -68.559
Base-Backbone interact. energy: -0.569
local terms energy: -72.189420
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -18.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -192.424937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.424937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.424937 (E_RNA)
where:
Base-Base interactions energy: -113.671
where: short stacking energy: -63.736
Base-Backbone interact. energy: -0.020
local terms energy: -78.733486
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -18.551
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -17.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -202.490151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.490151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.490151 (E_RNA)
where:
Base-Base interactions energy: -132.587
where: short stacking energy: -67.028
Base-Backbone interact. energy: 1.548
local terms energy: -71.450573
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -6.019
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: 6, replica: 9
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -116.292810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.292810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.292810 (E_RNA)
where:
Base-Base interactions energy: -49.970
where: short stacking energy: -47.591
Base-Backbone interact. energy: -0.000
local terms energy: -66.322285
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -9.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -106.819510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.819510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.819510 (E_RNA)
where:
Base-Base interactions energy: -46.104
where: short stacking energy: -30.651
Base-Backbone interact. energy: -0.156
local terms energy: -60.559562
where:
bonds (distance) C4'-P energy: -18.214
bonds (distance) P-C4' energy: -11.819
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -5.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -94.648196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.648196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.648196 (E_RNA)
where:
Base-Base interactions energy: -38.287
where: short stacking energy: -38.212
Base-Backbone interact. energy: -1.039
local terms energy: -55.322471
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -4.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -87.856461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.856461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.856461 (E_RNA)
where:
Base-Base interactions energy: -36.761
where: short stacking energy: -36.224
Base-Backbone interact. energy: -0.290
local terms energy: -50.805490
where:
bonds (distance) C4'-P energy: -13.682
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -9.084
flat angles P-C4'-P energy: -3.693
tors. eta vs tors. theta energy: -7.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -92.040032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.040032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.040032 (E_RNA)
where:
Base-Base interactions energy: -38.263
where: short stacking energy: -33.701
Base-Backbone interact. energy: 1.463
local terms energy: -55.240790
where:
bonds (distance) C4'-P energy: -16.519
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -1.913
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: 5
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -238.813950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.813950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.813950 (E_RNA)
where:
Base-Base interactions energy: -166.201
where: short stacking energy: -71.490
Base-Backbone interact. energy: -0.852
local terms energy: -71.760694
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -12.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -205.219866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.219866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.219866 (E_RNA)
where:
Base-Base interactions energy: -125.232
where: short stacking energy: -68.429
Base-Backbone interact. energy: -0.071
local terms energy: -79.916276
where:
bonds (distance) C4'-P energy: -8.642
bonds (distance) P-C4' energy: -16.475
flat angles C4'-P-C4' energy: -19.747
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -21.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -210.325640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.325640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.325640 (E_RNA)
where:
Base-Base interactions energy: -137.614
where: short stacking energy: -67.061
Base-Backbone interact. energy: -0.658
local terms energy: -72.054400
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -17.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -194.226180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.226180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.226180 (E_RNA)
where:
Base-Base interactions energy: -121.616
where: short stacking energy: -52.280
Base-Backbone interact. energy: -0.733
local terms energy: -71.877154
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -5.825
tors. eta vs tors. theta energy: -14.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -209.651351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.651351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.651351 (E_RNA)
where:
Base-Base interactions energy: -135.226
where: short stacking energy: -62.768
Base-Backbone interact. energy: 0.943
local terms energy: -75.368072
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -18.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -94.090321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.090321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.090321 (E_RNA)
where:
Base-Base interactions energy: -31.377
where: short stacking energy: -32.177
Base-Backbone interact. energy: -0.164
local terms energy: -62.549428
where:
bonds (distance) C4'-P energy: -16.629
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -7.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -99.951445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.951445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.951445 (E_RNA)
where:
Base-Base interactions energy: -53.147
where: short stacking energy: -37.924
Base-Backbone interact. energy: -0.105
local terms energy: -46.699593
where:
bonds (distance) C4'-P energy: -7.253
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -2.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -97.580148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.580148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.580148 (E_RNA)
where:
Base-Base interactions energy: -37.254
where: short stacking energy: -33.428
Base-Backbone interact. energy: -0.112
local terms energy: -60.214356
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -7.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -83.879932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.879932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.879932 (E_RNA)
where:
Base-Base interactions energy: -35.350
where: short stacking energy: -34.657
Base-Backbone interact. energy: -0.020
local terms energy: -48.510354
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -4.473
tors. eta vs tors. theta energy: 0.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -99.303384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.303384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.303384 (E_RNA)
where:
Base-Base interactions energy: -30.416
where: short stacking energy: -28.462
Base-Backbone interact. energy: -0.093
local terms energy: -68.794435
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -9.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -243.682868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.682868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.682868 (E_RNA)
where:
Base-Base interactions energy: -168.570
where: short stacking energy: -69.268
Base-Backbone interact. energy: -0.434
local terms energy: -74.679240
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -11.676
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: 2, replica: 1
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -226.622990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.622990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.622990 (E_RNA)
where:
Base-Base interactions energy: -152.676
where: short stacking energy: -75.709
Base-Backbone interact. energy: -0.001
local terms energy: -73.945755
where:
bonds (distance) C4'-P energy: -12.271
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -18.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -207.344407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.344407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.344407 (E_RNA)
where:
Base-Base interactions energy: -125.522
where: short stacking energy: -67.366
Base-Backbone interact. energy: -0.053
local terms energy: -81.768801
where:
bonds (distance) C4'-P energy: -18.165
bonds (distance) P-C4' energy: -18.794
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -19.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -180.855862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.855862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.855862 (E_RNA)
where:
Base-Base interactions energy: -110.444
where: short stacking energy: -52.939
Base-Backbone interact. energy: -0.704
local terms energy: -69.707133
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -12.532
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: 5, replica: 2
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -184.552124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.552124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.552124 (E_RNA)
where:
Base-Base interactions energy: -112.606
where: short stacking energy: -62.773
Base-Backbone interact. energy: 0.018
local terms energy: -71.963504
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -12.828
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: 3
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -114.019886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.019886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.019886 (E_RNA)
where:
Base-Base interactions energy: -41.602
where: short stacking energy: -41.602
Base-Backbone interact. energy: -0.030
local terms energy: -72.388003
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -20.240
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -9.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -92.757752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.757752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.757752 (E_RNA)
where:
Base-Base interactions energy: -32.876
where: short stacking energy: -31.669
Base-Backbone interact. energy: -0.108
local terms energy: -59.773957
where:
bonds (distance) C4'-P energy: -15.627
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -0.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -95.675567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.675567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.675567 (E_RNA)
where:
Base-Base interactions energy: -38.291
where: short stacking energy: -24.769
Base-Backbone interact. energy: -0.641
local terms energy: -56.743088
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -11.376
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: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -85.103327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.103327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.103327 (E_RNA)
where:
Base-Base interactions energy: -44.023
where: short stacking energy: -33.937
Base-Backbone interact. energy: 1.017
local terms energy: -42.097049
where:
bonds (distance) C4'-P energy: -11.128
bonds (distance) P-C4' energy: -8.483
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -2.944
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: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -80.600334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.600334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.600334 (E_RNA)
where:
Base-Base interactions energy: -37.792
where: short stacking energy: -31.839
Base-Backbone interact. energy: 1.066
local terms energy: -43.873876
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -6.242
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -0.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -232.459043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.459043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.459043 (E_RNA)
where:
Base-Base interactions energy: -147.239
where: short stacking energy: -80.182
Base-Backbone interact. energy: -0.003
local terms energy: -85.217507
where:
bonds (distance) C4'-P energy: -16.559
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -26.700
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: 164
Temperature: 0.950000
Total energy: -235.659071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.659071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.659071 (E_RNA)
where:
Base-Base interactions energy: -159.880
where: short stacking energy: -69.588
Base-Backbone interact. energy: -0.581
local terms energy: -75.197795
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -15.349
tors. eta vs tors. theta energy: -12.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -204.825390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.825390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.825390 (E_RNA)
where:
Base-Base interactions energy: -129.794
where: short stacking energy: -62.281
Base-Backbone interact. energy: -0.243
local terms energy: -74.787988
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -17.747
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -14.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -182.269728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.269728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.269728 (E_RNA)
where:
Base-Base interactions energy: -99.531
where: short stacking energy: -52.205
Base-Backbone interact. energy: -0.036
local terms energy: -82.702656
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -19.648
flat angles C4'-P-C4' energy: -17.974
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -17.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -181.534500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.534500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.534500 (E_RNA)
where:
Base-Base interactions energy: -109.364
where: short stacking energy: -52.920
Base-Backbone interact. energy: -0.131
local terms energy: -72.039725
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -5.682
tors. eta vs tors. theta energy: -16.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -129.291258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.291258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.291258 (E_RNA)
where:
Base-Base interactions energy: -54.610
where: short stacking energy: -50.317
Base-Backbone interact. energy: -0.469
local terms energy: -74.212108
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -12.236
flat angles P-C4'-P energy: -12.746
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: 164
Temperature: 1.200000
Total energy: -96.706137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.706137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.706137 (E_RNA)
where:
Base-Base interactions energy: -43.914
where: short stacking energy: -38.092
Base-Backbone interact. energy: -0.112
local terms energy: -52.680495
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -14.485
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -6.295
tors. eta vs tors. theta energy: -5.428
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: 8, replica: 9
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -90.604599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.604599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.604599 (E_RNA)
where:
Base-Base interactions energy: -36.573
where: short stacking energy: -25.624
Base-Backbone interact. energy: -0.391
local terms energy: -53.640167
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -9.534
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: 9, replica: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -97.058241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.058241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.058241 (E_RNA)
where:
Base-Base interactions energy: -42.333
where: short stacking energy: -40.356
Base-Backbone interact. energy: -0.086
local terms energy: -54.639771
where:
bonds (distance) C4'-P energy: -11.207
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -9.157
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: 10, replica: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -83.488379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.488379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.488379 (E_RNA)
where:
Base-Base interactions energy: -21.934
where: short stacking energy: -21.934
Base-Backbone interact. energy: -0.042
local terms energy: -61.512773
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -9.913
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: 165
Temperature: 0.900000
Total energy: -226.694898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.694898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.694898 (E_RNA)
where:
Base-Base interactions energy: -139.897
where: short stacking energy: -77.050
Base-Backbone interact. energy: -0.001
local terms energy: -86.796489
where:
bonds (distance) C4'-P energy: -17.188
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -17.997
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -21.987
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: 5
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -238.217190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.217190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.217190 (E_RNA)
where:
Base-Base interactions energy: -165.253
where: short stacking energy: -65.020
Base-Backbone interact. energy: -0.337
local terms energy: -72.627318
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -15.031
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: 7
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -204.255649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.255649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.255649 (E_RNA)
where:
Base-Base interactions energy: -124.302
where: short stacking energy: -70.625
Base-Backbone interact. energy: -0.671
local terms energy: -79.282436
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -17.876
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -10.774
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: 2
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -196.336342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.336342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.336342 (E_RNA)
where:
Base-Base interactions energy: -123.943
where: short stacking energy: -68.728
Base-Backbone interact. energy: 0.057
local terms energy: -72.450945
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -18.525
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -13.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -179.776578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.776578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.776578 (E_RNA)
where:
Base-Base interactions energy: -115.493
where: short stacking energy: -55.000
Base-Backbone interact. energy: -0.414
local terms energy: -63.869079
where:
bonds (distance) C4'-P energy: -10.589
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -10.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -103.093487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.093487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.093487 (E_RNA)
where:
Base-Base interactions energy: -40.757
where: short stacking energy: -31.550
Base-Backbone interact. energy: 0.804
local terms energy: -63.140745
where:
bonds (distance) C4'-P energy: -14.722
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -8.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -105.356591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.356591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.356591 (E_RNA)
where:
Base-Base interactions energy: -43.982
where: short stacking energy: -33.725
Base-Backbone interact. energy: -0.048
local terms energy: -61.326084
where:
bonds (distance) C4'-P energy: -16.651
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -3.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -92.715132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.715132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.715132 (E_RNA)
where:
Base-Base interactions energy: -41.940
where: short stacking energy: -34.501
Base-Backbone interact. energy: -0.069
local terms energy: -50.706568
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -8.338
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -0.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -92.370284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.370284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.370284 (E_RNA)
where:
Base-Base interactions energy: -35.867
where: short stacking energy: -29.965
Base-Backbone interact. energy: 1.260
local terms energy: -57.762989
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -8.447
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: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -90.234058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.234058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.234058 (E_RNA)
where:
Base-Base interactions energy: -39.519
where: short stacking energy: -26.867
Base-Backbone interact. energy: -0.479
local terms energy: -50.236190
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -8.440
flat angles P-C4'-P energy: -13.493
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: 1, replica: 5
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -244.914576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.914576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.914576 (E_RNA)
where:
Base-Base interactions energy: -168.198
where: short stacking energy: -76.058
Base-Backbone interact. energy: -0.151
local terms energy: -76.564805
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -18.569
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -13.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -228.249563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.249563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.249563 (E_RNA)
where:
Base-Base interactions energy: -146.994
where: short stacking energy: -70.036
Base-Backbone interact. energy: -0.012
local terms energy: -81.243091
where:
bonds (distance) C4'-P energy: -11.650
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -21.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -206.473958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.473958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.473958 (E_RNA)
where:
Base-Base interactions energy: -133.210
where: short stacking energy: -66.200
Base-Backbone interact. energy: -0.250
local terms energy: -73.013476
where:
bonds (distance) C4'-P energy: -9.926
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -20.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -181.523034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.523034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.523034 (E_RNA)
where:
Base-Base interactions energy: -116.229
where: short stacking energy: -45.502
Base-Backbone interact. energy: -0.262
local terms energy: -65.032648
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -18.910
flat angles P-C4'-P energy: -6.335
tors. eta vs tors. theta energy: -8.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -193.627733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.627733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.627733 (E_RNA)
where:
Base-Base interactions energy: -127.906
where: short stacking energy: -60.932
Base-Backbone interact. energy: -0.053
local terms energy: -65.669218
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -12.415
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: 8
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -101.473295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.473295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.473295 (E_RNA)
where:
Base-Base interactions energy: -43.711
where: short stacking energy: -41.954
Base-Backbone interact. energy: -0.076
local terms energy: -57.686708
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -2.733
tors. eta vs tors. theta energy: -9.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -100.664535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.664535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.664535 (E_RNA)
where:
Base-Base interactions energy: -53.261
where: short stacking energy: -40.992
Base-Backbone interact. energy: -0.314
local terms energy: -47.090060
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -3.146
tors. eta vs tors. theta energy: -4.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -95.266286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.266286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.266286 (E_RNA)
where:
Base-Base interactions energy: -36.870
where: short stacking energy: -36.597
Base-Backbone interact. energy: -0.134
local terms energy: -58.261878
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -9.235
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: 10
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -93.835229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.835229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.835229 (E_RNA)
where:
Base-Base interactions energy: -32.297
where: short stacking energy: -32.297
Base-Backbone interact. energy: 0.209
local terms energy: -61.747292
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -6.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -87.199418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.199418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.199418 (E_RNA)
where:
Base-Base interactions energy: -36.735
where: short stacking energy: -26.499
Base-Backbone interact. energy: -0.036
local terms energy: -50.428189
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -11.255
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -5.988
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: 5
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -245.191182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.191182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.191182 (E_RNA)
where:
Base-Base interactions energy: -168.008
where: short stacking energy: -64.774
Base-Backbone interact. energy: -0.281
local terms energy: -76.901958
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -17.978
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -14.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -231.307158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.307158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.307158 (E_RNA)
where:
Base-Base interactions energy: -146.921
where: short stacking energy: -77.196
Base-Backbone interact. energy: -0.045
local terms energy: -84.341490
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -26.377
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: 7
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -219.563592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.563592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.563592 (E_RNA)
where:
Base-Base interactions energy: -138.487
where: short stacking energy: -72.334
Base-Backbone interact. energy: -0.003
local terms energy: -81.074316
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -17.670
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -22.284
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: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -184.885275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.885275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.885275 (E_RNA)
where:
Base-Base interactions energy: -110.709
where: short stacking energy: -53.036
Base-Backbone interact. energy: -0.295
local terms energy: -73.881260
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -15.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -220.085587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.085587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.085587 (E_RNA)
where:
Base-Base interactions energy: -137.778
where: short stacking energy: -76.973
Base-Backbone interact. energy: -0.194
local terms energy: -82.113960
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -10.831
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: 6, replica: 6
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -115.209265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.209265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.209265 (E_RNA)
where:
Base-Base interactions energy: -48.810
where: short stacking energy: -48.810
Base-Backbone interact. energy: -0.167
local terms energy: -66.232101
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -14.369
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -10.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -104.498441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.498441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.498441 (E_RNA)
where:
Base-Base interactions energy: -48.478
where: short stacking energy: -41.379
Base-Backbone interact. energy: -0.163
local terms energy: -55.857560
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -6.671
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: 8, replica: 10
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -90.217031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.217031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.217031 (E_RNA)
where:
Base-Base interactions energy: -34.777
where: short stacking energy: -33.327
Base-Backbone interact. energy: -0.682
local terms energy: -54.758294
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -8.813
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: 3
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -95.397222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.397222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.397222 (E_RNA)
where:
Base-Base interactions energy: -41.500
where: short stacking energy: -35.246
Base-Backbone interact. energy: 0.237
local terms energy: -54.133984
where:
bonds (distance) C4'-P energy: -10.462
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -4.875
tors. eta vs tors. theta energy: -9.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -85.458414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.458414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.458414 (E_RNA)
where:
Base-Base interactions energy: -30.971
where: short stacking energy: -23.604
Base-Backbone interact. energy: -0.109
local terms energy: -54.378764
where:
bonds (distance) C4'-P energy: -18.696
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -0.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -237.195287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.195287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.195287 (E_RNA)
where:
Base-Base interactions energy: -155.182
where: short stacking energy: -81.615
Base-Backbone interact. energy: -0.498
local terms energy: -81.515253
where:
bonds (distance) C4'-P energy: -13.861
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -24.189
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: 2, replica: 5
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -235.524466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.524466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.524466 (E_RNA)
where:
Base-Base interactions energy: -163.407
where: short stacking energy: -67.719
Base-Backbone interact. energy: -0.878
local terms energy: -71.240070
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -13.848
tors. eta vs tors. theta energy: -11.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -205.977588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.977588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.977588 (E_RNA)
where:
Base-Base interactions energy: -127.839
where: short stacking energy: -68.990
Base-Backbone interact. energy: -0.011
local terms energy: -78.127901
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -19.194
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -18.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -191.989179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.989179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.989179 (E_RNA)
where:
Base-Base interactions energy: -122.208
where: short stacking energy: -56.304
Base-Backbone interact. energy: 0.639
local terms energy: -70.420444
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -14.189
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -13.547
tors. eta vs tors. theta energy: -15.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -175.494559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.494559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.494559 (E_RNA)
where:
Base-Base interactions energy: -114.646
where: short stacking energy: -43.219
Base-Backbone interact. energy: -1.098
local terms energy: -59.750476
where:
bonds (distance) C4'-P energy: -10.014
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -9.781
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: 6, replica: 6
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -108.791066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.791066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.791066 (E_RNA)
where:
Base-Base interactions energy: -49.310
where: short stacking energy: -41.432
Base-Backbone interact. energy: 1.940
local terms energy: -61.420797
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -6.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -96.832973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.832973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.832973 (E_RNA)
where:
Base-Base interactions energy: -35.519
where: short stacking energy: -34.110
Base-Backbone interact. energy: -0.018
local terms energy: -61.295926
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -9.672
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: 8
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -100.033226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.033226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.033226 (E_RNA)
where:
Base-Base interactions energy: -40.983
where: short stacking energy: -32.624
Base-Backbone interact. energy: -0.480
local terms energy: -58.570659
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -10.418
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -7.679
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: 168
Temperature: 1.300000
Total energy: -90.109691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.109691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.109691 (E_RNA)
where:
Base-Base interactions energy: -29.025
where: short stacking energy: -28.130
Base-Backbone interact. energy: 0.234
local terms energy: -61.318109
where:
bonds (distance) C4'-P energy: -16.809
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -7.628
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -12.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -75.528451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.528451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.528451 (E_RNA)
where:
Base-Base interactions energy: -37.028
where: short stacking energy: -33.689
Base-Backbone interact. energy: -0.277
local terms energy: -38.222948
where:
bonds (distance) C4'-P energy: -7.621
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -1.186
tors. eta vs tors. theta energy: -0.803
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: 1, replica: 1
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -233.539204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.539204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.539204 (E_RNA)
where:
Base-Base interactions energy: -141.477
where: short stacking energy: -75.794
Base-Backbone interact. energy: -0.193
local terms energy: -91.869930
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -14.212
tors. eta vs tors. theta energy: -23.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -245.028183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.028183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.028183 (E_RNA)
where:
Base-Base interactions energy: -174.869
where: short stacking energy: -72.670
Base-Backbone interact. energy: 1.825
local terms energy: -71.984649
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -10.733
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: 7
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -201.442160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.442160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.442160 (E_RNA)
where:
Base-Base interactions energy: -120.841
where: short stacking energy: -65.665
Base-Backbone interact. energy: 0.899
local terms energy: -81.500163
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -14.808
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: 4, replica: 2
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -230.607095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.607095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.607095 (E_RNA)
where:
Base-Base interactions energy: -154.644
where: short stacking energy: -55.020
Base-Backbone interact. energy: -0.962
local terms energy: -75.001917
where:
bonds (distance) C4'-P energy: -17.400
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -14.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -183.543853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.543853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.543853 (E_RNA)
where:
Base-Base interactions energy: -114.600
where: short stacking energy: -50.263
Base-Backbone interact. energy: -0.698
local terms energy: -68.245345
where:
bonds (distance) C4'-P energy: -16.999
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -11.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -96.482449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.482449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.482449 (E_RNA)
where:
Base-Base interactions energy: -37.623
where: short stacking energy: -37.623
Base-Backbone interact. energy: -0.113
local terms energy: -58.745843
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -4.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -97.267368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.267368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.267368 (E_RNA)
where:
Base-Base interactions energy: -48.103
where: short stacking energy: -37.271
Base-Backbone interact. energy: -1.711
local terms energy: -47.453210
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -2.610
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: 169
Temperature: 1.250000
Total energy: -98.345020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.345020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.345020 (E_RNA)
where:
Base-Base interactions energy: -38.201
where: short stacking energy: -38.201
Base-Backbone interact. energy: -0.122
local terms energy: -60.021683
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -8.960
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: 9, replica: 8
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -87.683836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.683836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.683836 (E_RNA)
where:
Base-Base interactions energy: -37.092
where: short stacking energy: -32.259
Base-Backbone interact. energy: -1.519
local terms energy: -49.073038
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -3.991
tors. eta vs tors. theta energy: -4.725
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: 10, replica: 9
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -77.967135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.967135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.967135 (E_RNA)
where:
Base-Base interactions energy: -25.160
where: short stacking energy: -24.311
Base-Backbone interact. energy: -0.311
local terms energy: -52.495677
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -0.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -244.320492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.320492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.320492 (E_RNA)
where:
Base-Base interactions energy: -163.684
where: short stacking energy: -74.169
Base-Backbone interact. energy: -1.374
local terms energy: -79.262653
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -16.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -232.637123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.637123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.637123 (E_RNA)
where:
Base-Base interactions energy: -150.826
where: short stacking energy: -75.580
Base-Backbone interact. energy: -0.494
local terms energy: -81.317050
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -14.840
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -13.560
tors. eta vs tors. theta energy: -22.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -244.196242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.196242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.196242 (E_RNA)
where:
Base-Base interactions energy: -155.249
where: short stacking energy: -62.075
Base-Backbone interact. energy: -1.492
local terms energy: -87.454791
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -19.154
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -20.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -188.114407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.114407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.114407 (E_RNA)
where:
Base-Base interactions energy: -117.289
where: short stacking energy: -58.967
Base-Backbone interact. energy: -0.144
local terms energy: -70.682156
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -16.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -155.316798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.316798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.316798 (E_RNA)
where:
Base-Base interactions energy: -90.021
where: short stacking energy: -49.984
Base-Backbone interact. energy: -0.310
local terms energy: -64.986673
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -7.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -109.706972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.706972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.706972 (E_RNA)
where:
Base-Base interactions energy: -46.139
where: short stacking energy: -34.639
Base-Backbone interact. energy: -0.215
local terms energy: -63.352857
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -8.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -106.653551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.653551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.653551 (E_RNA)
where:
Base-Base interactions energy: -48.627
where: short stacking energy: -39.581
Base-Backbone interact. energy: 0.006
local terms energy: -58.032974
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -3.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -91.777332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.777332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.777332 (E_RNA)
where:
Base-Base interactions energy: -29.281
where: short stacking energy: -28.487
Base-Backbone interact. energy: -1.079
local terms energy: -61.417537
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -8.719
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -5.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -83.812157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.812157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.812157 (E_RNA)
where:
Base-Base interactions energy: -27.074
where: short stacking energy: -25.720
Base-Backbone interact. energy: -0.252
local terms energy: -56.486494
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -0.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -83.244431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.244431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.244431 (E_RNA)
where:
Base-Base interactions energy: -37.017
where: short stacking energy: -21.572
Base-Backbone interact. energy: -0.112
local terms energy: -46.115279
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -10.510
flat angles P-C4'-P energy: -2.764
tors. eta vs tors. theta energy: -3.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -246.239814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.239814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.239814 (E_RNA)
where:
Base-Base interactions energy: -160.284
where: short stacking energy: -68.214
Base-Backbone interact. energy: -0.990
local terms energy: -84.965527
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -19.238
flat angles C4'-P-C4' energy: -18.790
flat angles P-C4'-P energy: -14.285
tors. eta vs tors. theta energy: -16.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -238.454059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.454059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.454059 (E_RNA)
where:
Base-Base interactions energy: -165.385
where: short stacking energy: -73.435
Base-Backbone interact. energy: -0.831
local terms energy: -72.238451
where:
bonds (distance) C4'-P energy: -9.708
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -18.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -226.017732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.017732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.017732 (E_RNA)
where:
Base-Base interactions energy: -146.608
where: short stacking energy: -80.950
Base-Backbone interact. energy: -0.131
local terms energy: -79.278401
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -12.048
flat angles C4'-P-C4' energy: -19.922
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -23.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -176.553664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.553664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.553664 (E_RNA)
where:
Base-Base interactions energy: -105.687
where: short stacking energy: -49.170
Base-Backbone interact. energy: -0.090
local terms energy: -70.776576
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -13.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -177.378883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.378883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.378883 (E_RNA)
where:
Base-Base interactions energy: -107.495
where: short stacking energy: -55.122
Base-Backbone interact. energy: -0.076
local terms energy: -69.807171
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -7.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -109.419530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.419530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.419530 (E_RNA)
where:
Base-Base interactions energy: -53.046
where: short stacking energy: -38.823
Base-Backbone interact. energy: 0.415
local terms energy: -56.788880
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -10.922
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -4.338
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: 7, replica: 6
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -107.271811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.271811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.271811 (E_RNA)
where:
Base-Base interactions energy: -45.001
where: short stacking energy: -44.524
Base-Backbone interact. energy: -0.123
local terms energy: -62.147376
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -6.703
tors. eta vs tors. theta energy: -10.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -95.389482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.389482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.389482 (E_RNA)
where:
Base-Base interactions energy: -40.662
where: short stacking energy: -34.390
Base-Backbone interact. energy: -0.356
local terms energy: -54.372133
where:
bonds (distance) C4'-P energy: -12.830
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -5.899
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: 9, replica: 10
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -100.157178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.157178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.157178 (E_RNA)
where:
Base-Base interactions energy: -38.914
where: short stacking energy: -38.638
Base-Backbone interact. energy: -0.128
local terms energy: -61.115446
where:
bonds (distance) C4'-P energy: -10.155
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -7.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -87.486748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.486748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.486748 (E_RNA)
where:
Base-Base interactions energy: -30.723
where: short stacking energy: -27.845
Base-Backbone interact. energy: 0.360
local terms energy: -57.124068
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -0.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -241.046557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.046557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.046557 (E_RNA)
where:
Base-Base interactions energy: -166.170
where: short stacking energy: -70.810
Base-Backbone interact. energy: -1.430
local terms energy: -73.446171
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -15.275
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: 172
Temperature: 0.950000
Total energy: -244.651591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.651591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.651591 (E_RNA)
where:
Base-Base interactions energy: -166.367
where: short stacking energy: -67.965
Base-Backbone interact. energy: -0.246
local terms energy: -78.038239
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -15.891
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -18.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -221.356122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.356122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.356122 (E_RNA)
where:
Base-Base interactions energy: -138.048
where: short stacking energy: -68.938
Base-Backbone interact. energy: -0.243
local terms energy: -83.065081
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -21.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -191.342820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.342820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.342820 (E_RNA)
where:
Base-Base interactions energy: -113.497
where: short stacking energy: -62.522
Base-Backbone interact. energy: -0.279
local terms energy: -77.567279
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -17.617
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -18.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -186.594887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.594887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.594887 (E_RNA)
where:
Base-Base interactions energy: -112.744
where: short stacking energy: -56.025
Base-Backbone interact. energy: -0.353
local terms energy: -73.497697
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -10.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -109.128504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.128504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.128504 (E_RNA)
where:
Base-Base interactions energy: -50.914
where: short stacking energy: -40.812
Base-Backbone interact. energy: 0.238
local terms energy: -58.452070
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -17.879
flat angles P-C4'-P energy: -7.675
tors. eta vs tors. theta energy: -6.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -123.929237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.929237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.929237 (E_RNA)
where:
Base-Base interactions energy: -57.816
where: short stacking energy: -33.423
Base-Backbone interact. energy: -0.102
local terms energy: -66.011180
where:
bonds (distance) C4'-P energy: -18.592
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -18.160
flat angles P-C4'-P energy: -6.811
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: 8, replica: 6
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -95.312724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.312724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.312724 (E_RNA)
where:
Base-Base interactions energy: -36.450
where: short stacking energy: -25.821
Base-Backbone interact. energy: -0.393
local terms energy: -58.469432
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -4.958
tors. eta vs tors. theta energy: -3.685
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: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -88.933601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.933601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.933601 (E_RNA)
where:
Base-Base interactions energy: -39.676
where: short stacking energy: -27.225
Base-Backbone interact. energy: -0.203
local terms energy: -49.054554
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -8.079
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -3.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -80.444882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.444882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.444882 (E_RNA)
where:
Base-Base interactions energy: -25.198
where: short stacking energy: -24.042
Base-Backbone interact. energy: -0.671
local terms energy: -54.575017
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -2.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -237.959055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.959055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.959055 (E_RNA)
where:
Base-Base interactions energy: -166.394
where: short stacking energy: -65.476
Base-Backbone interact. energy: -1.133
local terms energy: -70.432504
where:
bonds (distance) C4'-P energy: -16.141
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -14.185
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: 2
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -243.492214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.492214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.492214 (E_RNA)
where:
Base-Base interactions energy: -166.101
where: short stacking energy: -71.700
Base-Backbone interact. energy: -0.455
local terms energy: -76.936533
where:
bonds (distance) C4'-P energy: -15.111
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -19.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -228.764423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.764423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.764423 (E_RNA)
where:
Base-Base interactions energy: -146.072
where: short stacking energy: -78.044
Base-Backbone interact. energy: -0.280
local terms energy: -82.412147
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -22.189
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: 7
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -183.746177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.746177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.746177 (E_RNA)
where:
Base-Base interactions energy: -114.948
where: short stacking energy: -55.947
Base-Backbone interact. energy: -0.044
local terms energy: -68.754057
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -13.204
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: 4
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -192.730929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.730929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.730929 (E_RNA)
where:
Base-Base interactions energy: -120.579
where: short stacking energy: -59.427
Base-Backbone interact. energy: -0.144
local terms energy: -72.007701
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -17.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -170.352848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.352848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.352848 (E_RNA)
where:
Base-Base interactions energy: -104.342
where: short stacking energy: -60.004
Base-Backbone interact. energy: -0.644
local terms energy: -65.367130
where:
bonds (distance) C4'-P energy: -10.540
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -16.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -110.349131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.349131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.349131 (E_RNA)
where:
Base-Base interactions energy: -55.251
where: short stacking energy: -40.280
Base-Backbone interact. energy: -0.073
local terms energy: -55.025287
where:
bonds (distance) C4'-P energy: -9.087
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -9.685
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -8.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -92.563223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.563223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.563223 (E_RNA)
where:
Base-Base interactions energy: -41.184
where: short stacking energy: -35.620
Base-Backbone interact. energy: -0.252
local terms energy: -51.126370
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -10.360
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -3.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -81.727041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.727041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.727041 (E_RNA)
where:
Base-Base interactions energy: -39.307
where: short stacking energy: -21.300
Base-Backbone interact. energy: -0.437
local terms energy: -41.982557
where:
bonds (distance) C4'-P energy: -8.657
bonds (distance) P-C4' energy: -10.296
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -6.132
tors. eta vs tors. theta energy: -2.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -81.369059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.369059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.369059 (E_RNA)
where:
Base-Base interactions energy: -38.141
where: short stacking energy: -26.513
Base-Backbone interact. energy: -0.193
local terms energy: -43.034471
where:
bonds (distance) C4'-P energy: -8.595
bonds (distance) P-C4' energy: -11.873
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: 1.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -244.567058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.567058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.567058 (E_RNA)
where:
Base-Base interactions energy: -172.427
where: short stacking energy: -65.142
Base-Backbone interact. energy: -0.300
local terms energy: -71.840244
where:
bonds (distance) C4'-P energy: -9.626
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -18.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -236.943124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.943124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.943124 (E_RNA)
where:
Base-Base interactions energy: -164.612
where: short stacking energy: -62.778
Base-Backbone interact. energy: -1.110
local terms energy: -71.221501
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -17.251
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -16.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -212.423533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.423533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.423533 (E_RNA)
where:
Base-Base interactions energy: -126.134
where: short stacking energy: -73.652
Base-Backbone interact. energy: -0.010
local terms energy: -86.279733
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -21.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -218.904884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.904884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.904884 (E_RNA)
where:
Base-Base interactions energy: -134.415
where: short stacking energy: -74.178
Base-Backbone interact. energy: -0.018
local terms energy: -84.472256
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -23.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -195.421803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.421803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.421803 (E_RNA)
where:
Base-Base interactions energy: -125.366
where: short stacking energy: -62.945
Base-Backbone interact. energy: -0.833
local terms energy: -69.222485
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -5.847
tors. eta vs tors. theta energy: -18.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -176.363728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.363728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.363728 (E_RNA)
where:
Base-Base interactions energy: -114.018
where: short stacking energy: -51.660
Base-Backbone interact. energy: -0.736
local terms energy: -61.609166
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -12.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -98.521945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.521945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.521945 (E_RNA)
where:
Base-Base interactions energy: -40.390
where: short stacking energy: -39.280
Base-Backbone interact. energy: -0.505
local terms energy: -57.627088
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -5.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -96.449576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.449576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.449576 (E_RNA)
where:
Base-Base interactions energy: -49.255
where: short stacking energy: -29.542
Base-Backbone interact. energy: -0.319
local terms energy: -46.875540
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: 4.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -83.171573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.171573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.171573 (E_RNA)
where:
Base-Base interactions energy: -29.004
where: short stacking energy: -23.321
Base-Backbone interact. energy: 0.117
local terms energy: -54.285238
where:
bonds (distance) C4'-P energy: -7.993
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -4.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -82.357675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.357675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.357675 (E_RNA)
where:
Base-Base interactions energy: -28.907
where: short stacking energy: -26.732
Base-Backbone interact. energy: -0.026
local terms energy: -53.424615
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -12.671
flat angles C4'-P-C4' energy: -11.577
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -5.029
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: 175
Temperature: 0.900000
Total energy: -241.376124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.376124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.376124 (E_RNA)
where:
Base-Base interactions energy: -169.894
where: short stacking energy: -65.452
Base-Backbone interact. energy: -0.291
local terms energy: -71.191256
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -13.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -227.789080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.789080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.789080 (E_RNA)
where:
Base-Base interactions energy: -147.206
where: short stacking energy: -57.788
Base-Backbone interact. energy: -2.198
local terms energy: -78.384498
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -20.233
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -10.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -200.403886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.403886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.403886 (E_RNA)
where:
Base-Base interactions energy: -124.740
where: short stacking energy: -67.408
Base-Backbone interact. energy: -0.113
local terms energy: -75.550872
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -17.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -211.093609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.093609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.093609 (E_RNA)
where:
Base-Base interactions energy: -137.399
where: short stacking energy: -63.237
Base-Backbone interact. energy: -0.089
local terms energy: -73.606008
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -10.203
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: -20.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -196.564931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.564931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.564931 (E_RNA)
where:
Base-Base interactions energy: -136.322
where: short stacking energy: -50.261
Base-Backbone interact. energy: 0.268
local terms energy: -60.510904
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: -12.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -154.991765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.991765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.991765 (E_RNA)
where:
Base-Base interactions energy: -98.831
where: short stacking energy: -49.542
Base-Backbone interact. energy: -0.061
local terms energy: -56.099697
where:
bonds (distance) C4'-P energy: -12.966
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -6.614
tors. eta vs tors. theta energy: -7.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -99.459749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.459749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.459749 (E_RNA)
where:
Base-Base interactions energy: -44.166
where: short stacking energy: -43.321
Base-Backbone interact. energy: 0.334
local terms energy: -55.627914
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -1.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -90.738600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.738600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.738600 (E_RNA)
where:
Base-Base interactions energy: -40.221
where: short stacking energy: -28.500
Base-Backbone interact. energy: -0.523
local terms energy: -49.994782
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: 1.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -102.080562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.080562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.080562 (E_RNA)
where:
Base-Base interactions energy: -41.141
where: short stacking energy: -38.158
Base-Backbone interact. energy: -0.131
local terms energy: -60.808427
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -10.599
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: 10, replica: 6
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -73.065334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.065334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.065334 (E_RNA)
where:
Base-Base interactions energy: -25.279
where: short stacking energy: -20.699
Base-Backbone interact. energy: -0.424
local terms energy: -47.362639
where:
bonds (distance) C4'-P energy: -11.642
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -9.398
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -6.680
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: 176
Temperature: 0.900000
Total energy: -240.714845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.714845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.714845 (E_RNA)
where:
Base-Base interactions energy: -171.264
where: short stacking energy: -55.185
Base-Backbone interact. energy: -0.559
local terms energy: -68.892449
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -10.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -240.000859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.000859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.000859 (E_RNA)
where:
Base-Base interactions energy: -157.670
where: short stacking energy: -72.238
Base-Backbone interact. energy: 0.819
local terms energy: -83.149749
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -17.562
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -18.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -215.721213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.721213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.721213 (E_RNA)
where:
Base-Base interactions energy: -132.135
where: short stacking energy: -76.193
Base-Backbone interact. energy: -0.003
local terms energy: -83.583356
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -16.063
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -23.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -196.467720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.467720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.467720 (E_RNA)
where:
Base-Base interactions energy: -121.316
where: short stacking energy: -59.856
Base-Backbone interact. energy: 0.069
local terms energy: -75.220111
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -13.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -195.854585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.854585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.854585 (E_RNA)
where:
Base-Base interactions energy: -133.087
where: short stacking energy: -57.416
Base-Backbone interact. energy: -0.390
local terms energy: -62.376963
where:
bonds (distance) C4'-P energy: -11.227
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -13.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -175.673942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.673942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.673942 (E_RNA)
where:
Base-Base interactions energy: -102.801
where: short stacking energy: -46.277
Base-Backbone interact. energy: -0.152
local terms energy: -72.720636
where:
bonds (distance) C4'-P energy: -17.740
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -8.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -126.400694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.400694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.400694 (E_RNA)
where:
Base-Base interactions energy: -65.192
where: short stacking energy: -43.989
Base-Backbone interact. energy: -0.094
local terms energy: -61.114591
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -5.716
tors. eta vs tors. theta energy: -8.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -92.693026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.693026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.693026 (E_RNA)
where:
Base-Base interactions energy: -29.752
where: short stacking energy: -23.121
Base-Backbone interact. energy: -0.644
local terms energy: -62.296177
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -0.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -91.354646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.354646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.354646 (E_RNA)
where:
Base-Base interactions energy: -32.931
where: short stacking energy: -18.830
Base-Backbone interact. energy: -0.802
local terms energy: -57.620834
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: 0.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -75.476842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.476842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.476842 (E_RNA)
where:
Base-Base interactions energy: -29.369
where: short stacking energy: -24.571
Base-Backbone interact. energy: -0.191
local terms energy: -45.916456
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -4.730
tors. eta vs tors. theta energy: 2.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -236.563375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.563375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.563375 (E_RNA)
where:
Base-Base interactions energy: -169.939
where: short stacking energy: -56.435
Base-Backbone interact. energy: 0.532
local terms energy: -67.156147
where:
bonds (distance) C4'-P energy: -15.405
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -9.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -205.344012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.344012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.344012 (E_RNA)
where:
Base-Base interactions energy: -133.383
where: short stacking energy: -70.149
Base-Backbone interact. energy: -0.423
local terms energy: -71.538063
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -17.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -237.460768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.460768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.460768 (E_RNA)
where:
Base-Base interactions energy: -161.039
where: short stacking energy: -71.945
Base-Backbone interact. energy: -0.880
local terms energy: -75.541737
where:
bonds (distance) C4'-P energy: -14.862
bonds (distance) P-C4' energy: -14.012
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -16.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -218.091488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.091488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.091488 (E_RNA)
where:
Base-Base interactions energy: -138.965
where: short stacking energy: -72.775
Base-Backbone interact. energy: -0.310
local terms energy: -78.816690
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -10.476
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -24.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -199.344212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.344212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.344212 (E_RNA)
where:
Base-Base interactions energy: -118.732
where: short stacking energy: -62.256
Base-Backbone interact. energy: -0.704
local terms energy: -79.908261
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -19.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -162.168029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.168029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.168029 (E_RNA)
where:
Base-Base interactions energy: -98.233
where: short stacking energy: -53.615
Base-Backbone interact. energy: 0.076
local terms energy: -64.011221
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -12.503
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -12.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -119.646912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.646912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.646912 (E_RNA)
where:
Base-Base interactions energy: -57.372
where: short stacking energy: -44.906
Base-Backbone interact. energy: -0.005
local terms energy: -62.269943
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -12.369
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -6.210
tors. eta vs tors. theta energy: -10.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -97.823141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.823141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.823141 (E_RNA)
where:
Base-Base interactions energy: -33.417
where: short stacking energy: -33.417
Base-Backbone interact. energy: 0.166
local terms energy: -64.572910
where:
bonds (distance) C4'-P energy: -14.746
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -7.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -87.812980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.812980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.812980 (E_RNA)
where:
Base-Base interactions energy: -37.792
where: short stacking energy: -31.501
Base-Backbone interact. energy: -0.207
local terms energy: -49.813881
where:
bonds (distance) C4'-P energy: -10.398
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -5.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -80.301094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.301094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.301094 (E_RNA)
where:
Base-Base interactions energy: -31.519
where: short stacking energy: -26.834
Base-Backbone interact. energy: -1.675
local terms energy: -47.107093
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -9.308
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: 0.689
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: 2
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -236.963258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.963258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.963258 (E_RNA)
where:
Base-Base interactions energy: -166.856
where: short stacking energy: -64.658
Base-Backbone interact. energy: -0.248
local terms energy: -69.859523
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -15.334
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: 2, replica: 7
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -213.273766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.273766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.273766 (E_RNA)
where:
Base-Base interactions energy: -131.778
where: short stacking energy: -79.170
Base-Backbone interact. energy: -0.046
local terms energy: -81.449834
where:
bonds (distance) C4'-P energy: -16.903
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -23.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -224.827661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.827661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.827661 (E_RNA)
where:
Base-Base interactions energy: -144.935
where: short stacking energy: -71.933
Base-Backbone interact. energy: -0.061
local terms energy: -79.831242
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -20.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -224.629849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.629849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.629849 (E_RNA)
where:
Base-Base interactions energy: -154.475
where: short stacking energy: -64.642
Base-Backbone interact. energy: -0.071
local terms energy: -70.083254
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -12.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -154.926557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.926557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.926557 (E_RNA)
where:
Base-Base interactions energy: -101.024
where: short stacking energy: -46.311
Base-Backbone interact. energy: 1.191
local terms energy: -55.093154
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -10.646
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -3.569
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: 4
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -177.908514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.908514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.908514 (E_RNA)
where:
Base-Base interactions energy: -116.326
where: short stacking energy: -56.286
Base-Backbone interact. energy: -0.004
local terms energy: -61.578459
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -9.905
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -12.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -92.438822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.438822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.438822 (E_RNA)
where:
Base-Base interactions energy: -35.765
where: short stacking energy: -35.765
Base-Backbone interact. energy: -0.197
local terms energy: -56.476851
where:
bonds (distance) C4'-P energy: -11.952
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -5.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -87.317687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.317687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.317687 (E_RNA)
where:
Base-Base interactions energy: -33.246
where: short stacking energy: -20.181
Base-Backbone interact. energy: -0.264
local terms energy: -53.806996
where:
bonds (distance) C4'-P energy: -13.380
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -11.157
flat angles P-C4'-P energy: -8.535
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: 6
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -91.684599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.684599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.684599 (E_RNA)
where:
Base-Base interactions energy: -33.908
where: short stacking energy: -20.970
Base-Backbone interact. energy: -0.312
local terms energy: -57.463927
where:
bonds (distance) C4'-P energy: -16.787
bonds (distance) P-C4' energy: -8.488
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -2.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -94.427862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.427862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.427862 (E_RNA)
where:
Base-Base interactions energy: -41.659
where: short stacking energy: -19.814
Base-Backbone interact. energy: -0.242
local terms energy: -52.527600
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -6.373
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: 1, replica: 2
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -234.036958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.036958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.036958 (E_RNA)
where:
Base-Base interactions energy: -150.031
where: short stacking energy: -62.478
Base-Backbone interact. energy: -0.214
local terms energy: -83.791888
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -18.246
flat angles P-C4'-P energy: -12.434
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: 2, replica: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -228.741082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.741082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.741082 (E_RNA)
where:
Base-Base interactions energy: -145.719
where: short stacking energy: -75.367
Base-Backbone interact. energy: -0.005
local terms energy: -83.017044
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -18.580
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -24.259
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: 7
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -209.343598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.343598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.343598 (E_RNA)
where:
Base-Base interactions energy: -124.138
where: short stacking energy: -70.937
Base-Backbone interact. energy: -0.075
local terms energy: -85.130778
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -15.153
tors. eta vs tors. theta energy: -24.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -218.877855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.877855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.877855 (E_RNA)
where:
Base-Base interactions energy: -144.008
where: short stacking energy: -63.627
Base-Backbone interact. energy: -0.276
local terms energy: -74.593254
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -15.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -163.664162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.664162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.664162 (E_RNA)
where:
Base-Base interactions energy: -98.095
where: short stacking energy: -52.268
Base-Backbone interact. energy: -0.148
local terms energy: -65.420839
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -12.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -182.198065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.198065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.198065 (E_RNA)
where:
Base-Base interactions energy: -119.380
where: short stacking energy: -52.978
Base-Backbone interact. energy: -0.099
local terms energy: -62.719189
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -10.236
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -13.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -93.780338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.780338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.780338 (E_RNA)
where:
Base-Base interactions energy: -36.536
where: short stacking energy: -31.518
Base-Backbone interact. energy: -0.439
local terms energy: -56.805480
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -3.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -94.608881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.608881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.608881 (E_RNA)
where:
Base-Base interactions energy: -42.842
where: short stacking energy: -31.770
Base-Backbone interact. energy: -0.063
local terms energy: -51.703003
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -2.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -81.130608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.130608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.130608 (E_RNA)
where:
Base-Base interactions energy: -31.724
where: short stacking energy: -31.724
Base-Backbone interact. energy: -0.140
local terms energy: -49.266541
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -11.195
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -0.590
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: 10, replica: 9
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -84.701624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.701624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.701624 (E_RNA)
where:
Base-Base interactions energy: -33.787
where: short stacking energy: -30.539
Base-Backbone interact. energy: -0.121
local terms energy: -50.793005
where:
bonds (distance) C4'-P energy: -11.298
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -7.352
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -2.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -232.926179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.926179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.926179 (E_RNA)
where:
Base-Base interactions energy: -152.979
where: short stacking energy: -60.745
Base-Backbone interact. energy: 0.134
local terms energy: -80.080717
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -16.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -227.345850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.345850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.345850 (E_RNA)
where:
Base-Base interactions energy: -146.711
where: short stacking energy: -61.178
Base-Backbone interact. energy: -0.284
local terms energy: -80.351130
where:
bonds (distance) C4'-P energy: -18.489
bonds (distance) P-C4' energy: -19.442
flat angles C4'-P-C4' energy: -18.224
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -13.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -238.189910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.189910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.189910 (E_RNA)
where:
Base-Base interactions energy: -165.830
where: short stacking energy: -65.437
Base-Backbone interact. energy: -0.575
local terms energy: -71.784477
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -14.264
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: 7
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -195.203479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.203479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.203479 (E_RNA)
where:
Base-Base interactions energy: -128.884
where: short stacking energy: -65.228
Base-Backbone interact. energy: 1.810
local terms energy: -68.129200
where:
bonds (distance) C4'-P energy: -7.702
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -15.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -166.150253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.150253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.150253 (E_RNA)
where:
Base-Base interactions energy: -101.359
where: short stacking energy: -49.654
Base-Backbone interact. energy: -0.066
local terms energy: -64.725493
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -11.955
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: 3
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -158.862008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.862008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.862008 (E_RNA)
where:
Base-Base interactions energy: -91.365
where: short stacking energy: -38.528
Base-Backbone interact. energy: 0.655
local terms energy: -68.151935
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -11.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -105.291860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.291860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.291860 (E_RNA)
where:
Base-Base interactions energy: -42.404
where: short stacking energy: -40.532
Base-Backbone interact. energy: -0.369
local terms energy: -62.518806
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -11.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -97.969008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.969008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.969008 (E_RNA)
where:
Base-Base interactions energy: -54.103
where: short stacking energy: -42.615
Base-Backbone interact. energy: -0.172
local terms energy: -43.693239
where:
bonds (distance) C4'-P energy: -10.242
bonds (distance) P-C4' energy: -9.119
flat angles C4'-P-C4' energy: -10.044
flat angles P-C4'-P energy: -7.969
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: 9, replica: 9
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -93.552697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.552697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.552697 (E_RNA)
where:
Base-Base interactions energy: -36.958
where: short stacking energy: -30.917
Base-Backbone interact. energy: -0.479
local terms energy: -56.116254
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -6.425
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -6.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -80.737438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.737438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.737438 (E_RNA)
where:
Base-Base interactions energy: -25.488
where: short stacking energy: -25.488
Base-Backbone interact. energy: 1.667
local terms energy: -56.916627
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -1.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -249.508491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.508491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.508491 (E_RNA)
where:
Base-Base interactions energy: -177.871
where: short stacking energy: -74.063
Base-Backbone interact. energy: -0.392
local terms energy: -71.245722
where:
bonds (distance) C4'-P energy: -15.951
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -19.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -240.350308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.350308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.350308 (E_RNA)
where:
Base-Base interactions energy: -160.243
where: short stacking energy: -66.523
Base-Backbone interact. energy: -0.141
local terms energy: -79.966819
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -16.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -233.866735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.866735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.866735 (E_RNA)
where:
Base-Base interactions energy: -156.796
where: short stacking energy: -64.067
Base-Backbone interact. energy: -0.550
local terms energy: -76.520306
where:
bonds (distance) C4'-P energy: -17.769
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -14.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -205.597899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.597899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.597899 (E_RNA)
where:
Base-Base interactions energy: -126.183
where: short stacking energy: -69.413
Base-Backbone interact. energy: 0.078
local terms energy: -79.493023
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -18.066
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -20.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -174.942137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.942137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.942137 (E_RNA)
where:
Base-Base interactions energy: -100.557
where: short stacking energy: -53.805
Base-Backbone interact. energy: -0.255
local terms energy: -74.130252
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -18.408
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -14.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -129.170735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.170735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.170735 (E_RNA)
where:
Base-Base interactions energy: -72.883
where: short stacking energy: -46.841
Base-Backbone interact. energy: -0.086
local terms energy: -56.201164
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -7.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -176.875382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.875382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.875382 (E_RNA)
where:
Base-Base interactions energy: -105.270
where: short stacking energy: -58.268
Base-Backbone interact. energy: 0.847
local terms energy: -72.451814
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -9.016
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: 8, replica: 9
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -95.494712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.494712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.494712 (E_RNA)
where:
Base-Base interactions energy: -34.950
where: short stacking energy: -34.950
Base-Backbone interact. energy: -0.187
local terms energy: -60.357672
where:
bonds (distance) C4'-P energy: -12.184
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -7.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -85.778790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.778790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.778790 (E_RNA)
where:
Base-Base interactions energy: -39.697
where: short stacking energy: -30.688
Base-Backbone interact. energy: 0.884
local terms energy: -46.965104
where:
bonds (distance) C4'-P energy: -10.581
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -5.478
tors. eta vs tors. theta energy: -1.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -80.774665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.774665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.774665 (E_RNA)
where:
Base-Base interactions energy: -31.025
where: short stacking energy: -21.377
Base-Backbone interact. energy: -0.032
local terms energy: -49.717294
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -2.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -236.035722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.035722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.035722 (E_RNA)
where:
Base-Base interactions energy: -159.415
where: short stacking energy: -68.474
Base-Backbone interact. energy: -0.139
local terms energy: -76.481653
where:
bonds (distance) C4'-P energy: -16.808
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -12.812
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: 2, replica: 2
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -245.336934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.336934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.336934 (E_RNA)
where:
Base-Base interactions energy: -167.368
where: short stacking energy: -69.189
Base-Backbone interact. energy: -0.439
local terms energy: -77.529475
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -20.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -203.556794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.556794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.556794 (E_RNA)
where:
Base-Base interactions energy: -133.492
where: short stacking energy: -65.134
Base-Backbone interact. energy: -0.303
local terms energy: -69.762326
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -16.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -187.350446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.350446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.350446 (E_RNA)
where:
Base-Base interactions energy: -120.953
where: short stacking energy: -60.461
Base-Backbone interact. energy: -0.035
local terms energy: -66.361954
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -17.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -195.259099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.259099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.259099 (E_RNA)
where:
Base-Base interactions energy: -118.966
where: short stacking energy: -62.079
Base-Backbone interact. energy: -0.006
local terms energy: -76.286682
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -15.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -114.132090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.132090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.132090 (E_RNA)
where:
Base-Base interactions energy: -48.467
where: short stacking energy: -48.467
Base-Backbone interact. energy: -0.156
local terms energy: -65.508953
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -10.973
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: 3
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -184.840602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.840602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.840602 (E_RNA)
where:
Base-Base interactions energy: -114.912
where: short stacking energy: -60.440
Base-Backbone interact. energy: -0.022
local terms energy: -69.905899
where:
bonds (distance) C4'-P energy: -10.999
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -19.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -95.871983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.871983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.871983 (E_RNA)
where:
Base-Base interactions energy: -41.736
where: short stacking energy: -40.307
Base-Backbone interact. energy: 1.065
local terms energy: -55.200715
where:
bonds (distance) C4'-P energy: -7.670
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -11.047
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -4.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -86.134904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.134904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.134904 (E_RNA)
where:
Base-Base interactions energy: -31.152
where: short stacking energy: -28.133
Base-Backbone interact. energy: -0.206
local terms energy: -54.777360
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: 0.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -92.519691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.519691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.519691 (E_RNA)
where:
Base-Base interactions energy: -45.859
where: short stacking energy: -31.877
Base-Backbone interact. energy: 5.666
local terms energy: -52.327490
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -7.171
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -3.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -240.614856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.614856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.614856 (E_RNA)
where:
Base-Base interactions energy: -166.237
where: short stacking energy: -67.178
Base-Backbone interact. energy: -0.216
local terms energy: -74.161704
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -10.975
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: 2
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -249.482859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.482859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.482859 (E_RNA)
where:
Base-Base interactions energy: -179.824
where: short stacking energy: -68.457
Base-Backbone interact. energy: -0.700
local terms energy: -68.959146
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -9.345
flat angles P-C4'-P energy: -7.594
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: 3, replica: 1
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -201.793507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.793507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.793507 (E_RNA)
where:
Base-Base interactions energy: -119.649
where: short stacking energy: -62.503
Base-Backbone interact. energy: -0.152
local terms energy: -81.992798
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -20.004
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -13.776
tors. eta vs tors. theta energy: -17.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -198.282871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.282871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.282871 (E_RNA)
where:
Base-Base interactions energy: -127.125
where: short stacking energy: -69.581
Base-Backbone interact. energy: -0.158
local terms energy: -71.000267
where:
bonds (distance) C4'-P energy: -16.538
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -16.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -189.421692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.421692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.421692 (E_RNA)
where:
Base-Base interactions energy: -124.247
where: short stacking energy: -64.798
Base-Backbone interact. energy: 0.046
local terms energy: -65.219985
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -16.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -161.114778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.114778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.114778 (E_RNA)
where:
Base-Base interactions energy: -92.315
where: short stacking energy: -47.553
Base-Backbone interact. energy: -0.376
local terms energy: -68.423656
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -19.153
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -10.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -95.370500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.370500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.370500 (E_RNA)
where:
Base-Base interactions energy: -40.776
where: short stacking energy: -40.776
Base-Backbone interact. energy: -0.013
local terms energy: -54.581903
where:
bonds (distance) C4'-P energy: -12.805
bonds (distance) P-C4' energy: -11.138
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -7.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -101.871665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.871665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.871665 (E_RNA)
where:
Base-Base interactions energy: -41.956
where: short stacking energy: -41.956
Base-Backbone interact. energy: -0.063
local terms energy: -59.852321
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -5.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -83.164718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.164718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.164718 (E_RNA)
where:
Base-Base interactions energy: -25.680
where: short stacking energy: -20.719
Base-Backbone interact. energy: -0.903
local terms energy: -56.581473
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -0.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -89.765935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.765935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.765935 (E_RNA)
where:
Base-Base interactions energy: -30.795
where: short stacking energy: -29.486
Base-Backbone interact. energy: -0.694
local terms energy: -58.276874
where:
bonds (distance) C4'-P energy: -17.354
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -7.130
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: 1, replica: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -247.469893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.469893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.469893 (E_RNA)
where:
Base-Base interactions energy: -169.007
where: short stacking energy: -60.725
Base-Backbone interact. energy: -0.400
local terms energy: -78.063689
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -17.931
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -17.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -239.447698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.447698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.447698 (E_RNA)
where:
Base-Base interactions energy: -163.124
where: short stacking energy: -62.965
Base-Backbone interact. energy: -0.161
local terms energy: -76.162895
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -12.528
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: 3, replica: 4
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -204.919165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.919165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.919165 (E_RNA)
where:
Base-Base interactions energy: -126.334
where: short stacking energy: -70.293
Base-Backbone interact. energy: -0.017
local terms energy: -78.567557
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -19.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -213.996138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.996138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.996138 (E_RNA)
where:
Base-Base interactions energy: -137.545
where: short stacking energy: -74.407
Base-Backbone interact. energy: -0.464
local terms energy: -75.987740
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -17.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -197.018384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.018384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.018384 (E_RNA)
where:
Base-Base interactions energy: -125.738
where: short stacking energy: -68.336
Base-Backbone interact. energy: -0.847
local terms energy: -70.433137
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -14.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -143.882771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.882771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.882771 (E_RNA)
where:
Base-Base interactions energy: -81.138
where: short stacking energy: -34.569
Base-Backbone interact. energy: -0.546
local terms energy: -62.197933
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -4.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -103.175895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.175895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.175895 (E_RNA)
where:
Base-Base interactions energy: -39.992
where: short stacking energy: -39.381
Base-Backbone interact. energy: -1.352
local terms energy: -61.832031
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -17.962
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -5.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -105.973323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.973323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.973323 (E_RNA)
where:
Base-Base interactions energy: -50.123
where: short stacking energy: -31.701
Base-Backbone interact. energy: 0.551
local terms energy: -56.400880
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -14.599
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: 9, replica: 8
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -97.507915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.507915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.507915 (E_RNA)
where:
Base-Base interactions energy: -44.567
where: short stacking energy: -28.709
Base-Backbone interact. energy: -0.024
local terms energy: -52.917319
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -6.535
tors. eta vs tors. theta energy: -3.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -88.454957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.454957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.454957 (E_RNA)
where:
Base-Base interactions energy: -36.180
where: short stacking energy: -26.862
Base-Backbone interact. energy: -0.112
local terms energy: -52.162827
where:
bonds (distance) C4'-P energy: -11.571
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: -4.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -257.916968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.916968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.916968 (E_RNA)
where:
Base-Base interactions energy: -180.821
where: short stacking energy: -79.670
Base-Backbone interact. energy: -0.461
local terms energy: -76.635491
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -18.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -233.249668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.249668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.249668 (E_RNA)
where:
Base-Base interactions energy: -165.305
where: short stacking energy: -71.449
Base-Backbone interact. energy: 0.551
local terms energy: -68.495141
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -12.214
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: 3, replica: 4
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -205.351674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.351674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.351674 (E_RNA)
where:
Base-Base interactions energy: -132.260
where: short stacking energy: -63.993
Base-Backbone interact. energy: -0.100
local terms energy: -72.991193
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -18.844
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -5.707
tors. eta vs tors. theta energy: -18.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -203.363270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.363270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.363270 (E_RNA)
where:
Base-Base interactions energy: -138.023
where: short stacking energy: -60.689
Base-Backbone interact. energy: -0.118
local terms energy: -65.222056
where:
bonds (distance) C4'-P energy: -8.705
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -14.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -176.612997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.612997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.612997 (E_RNA)
where:
Base-Base interactions energy: -121.959
where: short stacking energy: -57.039
Base-Backbone interact. energy: -0.159
local terms energy: -54.495271
where:
bonds (distance) C4'-P energy: -11.351
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -0.663
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: 6, replica: 3
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -168.249315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.249315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.249315 (E_RNA)
where:
Base-Base interactions energy: -94.064
where: short stacking energy: -58.105
Base-Backbone interact. energy: -0.079
local terms energy: -74.106387
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -14.436
tors. eta vs tors. theta energy: -13.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -94.126076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.126076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.126076 (E_RNA)
where:
Base-Base interactions energy: -40.645
where: short stacking energy: -37.051
Base-Backbone interact. energy: -0.439
local terms energy: -53.042019
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -17.633
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -4.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -106.528705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.528705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.528705 (E_RNA)
where:
Base-Base interactions energy: -48.041
where: short stacking energy: -48.041
Base-Backbone interact. energy: 1.489
local terms energy: -59.976668
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -9.994
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: 6
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -86.150680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.150680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.150680 (E_RNA)
where:
Base-Base interactions energy: -30.327
where: short stacking energy: -27.882
Base-Backbone interact. energy: -1.803
local terms energy: -54.020693
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -0.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -99.257308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.257308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.257308 (E_RNA)
where:
Base-Base interactions energy: -47.329
where: short stacking energy: -41.776
Base-Backbone interact. energy: -0.903
local terms energy: -51.025117
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -0.127
tors. eta vs tors. theta energy: -8.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -253.438106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.438106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.438106 (E_RNA)
where:
Base-Base interactions energy: -179.311
where: short stacking energy: -66.154
Base-Backbone interact. energy: -0.368
local terms energy: -73.758984
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -18.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -235.955047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.955047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.955047 (E_RNA)
where:
Base-Base interactions energy: -164.302
where: short stacking energy: -67.582
Base-Backbone interact. energy: -1.207
local terms energy: -70.445702
where:
bonds (distance) C4'-P energy: -16.332
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -13.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -210.176310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.176310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.176310 (E_RNA)
where:
Base-Base interactions energy: -127.908
where: short stacking energy: -75.762
Base-Backbone interact. energy: -0.721
local terms energy: -81.546788
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -21.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -195.033393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.033393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.033393 (E_RNA)
where:
Base-Base interactions energy: -122.993
where: short stacking energy: -61.308
Base-Backbone interact. energy: -0.044
local terms energy: -71.996664
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -18.432
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -15.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -169.052463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.052463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.052463 (E_RNA)
where:
Base-Base interactions energy: -108.880
where: short stacking energy: -39.961
Base-Backbone interact. energy: -0.261
local terms energy: -59.911663
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -9.290
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: 6, replica: 7
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -175.290915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.290915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.290915 (E_RNA)
where:
Base-Base interactions energy: -111.625
where: short stacking energy: -56.343
Base-Backbone interact. energy: 0.284
local terms energy: -63.949918
where:
bonds (distance) C4'-P energy: -8.953
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: -14.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -101.830235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.830235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.830235 (E_RNA)
where:
Base-Base interactions energy: -43.776
where: short stacking energy: -40.616
Base-Backbone interact. energy: -0.186
local terms energy: -57.867633
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -7.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -94.966793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.966793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.966793 (E_RNA)
where:
Base-Base interactions energy: -32.722
where: short stacking energy: -31.678
Base-Backbone interact. energy: -0.140
local terms energy: -62.104690
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -7.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -91.749099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.749099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.749099 (E_RNA)
where:
Base-Base interactions energy: -31.807
where: short stacking energy: -24.300
Base-Backbone interact. energy: -0.273
local terms energy: -59.668661
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -83.087837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.087837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.087837 (E_RNA)
where:
Base-Base interactions energy: -23.409
where: short stacking energy: -21.639
Base-Backbone interact. energy: 0.276
local terms energy: -59.955152
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -5.128
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: 1, replica: 2
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -256.700753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.700753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.700753 (E_RNA)
where:
Base-Base interactions energy: -171.980
where: short stacking energy: -68.330
Base-Backbone interact. energy: -0.215
local terms energy: -84.505274
where:
bonds (distance) C4'-P energy: -17.793
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -18.506
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: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -234.738096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.738096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.738096 (E_RNA)
where:
Base-Base interactions energy: -160.406
where: short stacking energy: -65.965
Base-Backbone interact. energy: -0.407
local terms energy: -73.925208
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -15.135
tors. eta vs tors. theta energy: -13.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -208.161814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.161814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.161814 (E_RNA)
where:
Base-Base interactions energy: -136.043
where: short stacking energy: -62.481
Base-Backbone interact. energy: -0.018
local terms energy: -72.100688
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -15.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -215.052311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.052311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.052311 (E_RNA)
where:
Base-Base interactions energy: -139.804
where: short stacking energy: -67.823
Base-Backbone interact. energy: -0.220
local terms energy: -75.028224
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -21.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -207.479995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.479995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.479995 (E_RNA)
where:
Base-Base interactions energy: -130.655
where: short stacking energy: -70.060
Base-Backbone interact. energy: 0.786
local terms energy: -77.611685
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -21.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -166.659374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.659374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.659374 (E_RNA)
where:
Base-Base interactions energy: -102.906
where: short stacking energy: -50.799
Base-Backbone interact. energy: -0.121
local terms energy: -63.632631
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -6.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -112.241941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.241941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.241941 (E_RNA)
where:
Base-Base interactions energy: -53.925
where: short stacking energy: -35.692
Base-Backbone interact. energy: -0.038
local terms energy: -58.278059
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -9.241
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -7.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -109.470310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.470310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.470310 (E_RNA)
where:
Base-Base interactions energy: -52.369
where: short stacking energy: -30.581
Base-Backbone interact. energy: -0.102
local terms energy: -57.000002
where:
bonds (distance) C4'-P energy: -10.851
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -18.975
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -2.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -82.898428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.898428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.898428 (E_RNA)
where:
Base-Base interactions energy: -28.012
where: short stacking energy: -21.348
Base-Backbone interact. energy: -1.960
local terms energy: -52.926256
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -8.575
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -3.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -84.099563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.099563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.099563 (E_RNA)
where:
Base-Base interactions energy: -29.626
where: short stacking energy: -29.086
Base-Backbone interact. energy: -0.288
local terms energy: -54.186008
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -2.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -256.071311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.071311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.071311 (E_RNA)
where:
Base-Base interactions energy: -178.877
where: short stacking energy: -74.905
Base-Backbone interact. energy: -0.400
local terms energy: -76.793510
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -20.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -228.666108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.666108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.666108 (E_RNA)
where:
Base-Base interactions energy: -157.715
where: short stacking energy: -64.138
Base-Backbone interact. energy: -0.982
local terms energy: -69.969210
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -11.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -226.026551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.026551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.026551 (E_RNA)
where:
Base-Base interactions energy: -146.235
where: short stacking energy: -79.612
Base-Backbone interact. energy: -0.990
local terms energy: -78.801723
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -23.174
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: 4
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -200.818293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.818293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.818293 (E_RNA)
where:
Base-Base interactions energy: -129.020
where: short stacking energy: -65.399
Base-Backbone interact. energy: -0.047
local terms energy: -71.751325
where:
bonds (distance) C4'-P energy: -10.158
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -14.797
tors. eta vs tors. theta energy: -17.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -194.706087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.706087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.706087 (E_RNA)
where:
Base-Base interactions energy: -116.916
where: short stacking energy: -62.077
Base-Backbone interact. energy: -0.051
local terms energy: -77.739436
where:
bonds (distance) C4'-P energy: -11.489
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -20.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -171.927998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.927998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.927998 (E_RNA)
where:
Base-Base interactions energy: -98.284
where: short stacking energy: -52.778
Base-Backbone interact. energy: -0.065
local terms energy: -73.578466
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -12.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -95.453822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.453822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.453822 (E_RNA)
where:
Base-Base interactions energy: -46.756
where: short stacking energy: -31.311
Base-Backbone interact. energy: -0.084
local terms energy: -48.614649
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -8.646
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: 8
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -92.805265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.805265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.805265 (E_RNA)
where:
Base-Base interactions energy: -39.705
where: short stacking energy: -39.618
Base-Backbone interact. energy: -0.133
local terms energy: -52.967725
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -6.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -79.529616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.529616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.529616 (E_RNA)
where:
Base-Base interactions energy: -29.227
where: short stacking energy: -22.267
Base-Backbone interact. energy: -0.143
local terms energy: -50.158927
where:
bonds (distance) C4'-P energy: -15.256
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -10.750
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: 0.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -80.980188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.980188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.980188 (E_RNA)
where:
Base-Base interactions energy: -27.744
where: short stacking energy: -19.647
Base-Backbone interact. energy: -0.252
local terms energy: -52.983721
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -5.912
tors. eta vs tors. theta energy: 1.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -265.348180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.348180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.348180 (E_RNA)
where:
Base-Base interactions energy: -181.328
where: short stacking energy: -73.194
Base-Backbone interact. energy: -0.566
local terms energy: -83.454186
where:
bonds (distance) C4'-P energy: -18.265
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -15.110
tors. eta vs tors. theta energy: -19.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -230.390714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.390714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.390714 (E_RNA)
where:
Base-Base interactions energy: -153.202
where: short stacking energy: -77.258
Base-Backbone interact. energy: -0.848
local terms energy: -76.340379
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -20.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -210.894567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.894567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.894567 (E_RNA)
where:
Base-Base interactions energy: -141.312
where: short stacking energy: -55.480
Base-Backbone interact. energy: -0.392
local terms energy: -69.191083
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -17.562
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -10.085
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: 4, replica: 3
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -197.832162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.832162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.832162 (E_RNA)
where:
Base-Base interactions energy: -122.894
where: short stacking energy: -69.028
Base-Backbone interact. energy: -0.025
local terms energy: -74.912435
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -18.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -200.409194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.409194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.409194 (E_RNA)
where:
Base-Base interactions energy: -124.157
where: short stacking energy: -62.544
Base-Backbone interact. energy: 0.504
local terms energy: -76.755788
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: -14.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -166.706463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.706463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.706463 (E_RNA)
where:
Base-Base interactions energy: -105.096
where: short stacking energy: -61.668
Base-Backbone interact. energy: 0.124
local terms energy: -61.734669
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -9.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -100.135721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.135721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.135721 (E_RNA)
where:
Base-Base interactions energy: -38.407
where: short stacking energy: -38.407
Base-Backbone interact. energy: 0.232
local terms energy: -61.961332
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -3.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -90.117336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.117336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.117336 (E_RNA)
where:
Base-Base interactions energy: -39.383
where: short stacking energy: -34.863
Base-Backbone interact. energy: -0.038
local terms energy: -50.696085
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -9.097
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -5.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -89.980912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.980912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.980912 (E_RNA)
where:
Base-Base interactions energy: -32.985
where: short stacking energy: -29.694
Base-Backbone interact. energy: 0.248
local terms energy: -57.244356
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -19.003
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: 0.698
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: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -86.816851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.816851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.816851 (E_RNA)
where:
Base-Base interactions energy: -45.054
where: short stacking energy: -35.925
Base-Backbone interact. energy: 0.825
local terms energy: -42.588005
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -11.394
flat angles P-C4'-P energy: -1.830
tors. eta vs tors. theta energy: -2.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -238.599338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.599338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.599338 (E_RNA)
where:
Base-Base interactions energy: -154.916
where: short stacking energy: -77.203
Base-Backbone interact. energy: -0.270
local terms energy: -83.413429
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -18.248
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -22.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -242.270427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.270427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.270427 (E_RNA)
where:
Base-Base interactions energy: -167.002
where: short stacking energy: -71.064
Base-Backbone interact. energy: 2.032
local terms energy: -77.299945
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -17.437
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -9.807
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: 5
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -216.766821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.766821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.766821 (E_RNA)
where:
Base-Base interactions energy: -152.918
where: short stacking energy: -62.894
Base-Backbone interact. energy: -0.276
local terms energy: -63.573351
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -8.032
flat angles P-C4'-P energy: -10.615
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: 3
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -180.762141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.762141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.762141 (E_RNA)
where:
Base-Base interactions energy: -108.993
where: short stacking energy: -49.583
Base-Backbone interact. energy: -0.372
local terms energy: -71.396876
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -14.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -129.800049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.800049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.800049 (E_RNA)
where:
Base-Base interactions energy: -65.521
where: short stacking energy: -45.946
Base-Backbone interact. energy: -0.038
local terms energy: -64.240275
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -10.276
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -10.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -192.953512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.953512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.953512 (E_RNA)
where:
Base-Base interactions energy: -126.219
where: short stacking energy: -61.266
Base-Backbone interact. energy: -0.423
local terms energy: -66.311828
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -17.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -100.819965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.819965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.819965 (E_RNA)
where:
Base-Base interactions energy: -45.318
where: short stacking energy: -45.669
Base-Backbone interact. energy: 0.283
local terms energy: -55.784427
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -6.094
tors. eta vs tors. theta energy: -7.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -99.000668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.000668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.000668 (E_RNA)
where:
Base-Base interactions energy: -48.913
where: short stacking energy: -25.139
Base-Backbone interact. energy: -0.808
local terms energy: -49.279037
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -3.507
tors. eta vs tors. theta energy: -0.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -95.676273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.676273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.676273 (E_RNA)
where:
Base-Base interactions energy: -34.677
where: short stacking energy: -33.931
Base-Backbone interact. energy: -0.008
local terms energy: -60.990722
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -8.745
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: 10, replica: 8
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -82.989531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.989531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.989531 (E_RNA)
where:
Base-Base interactions energy: -25.817
where: short stacking energy: -25.817
Base-Backbone interact. energy: -0.337
local terms energy: -56.835382
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: 0.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -242.220201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.220201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.220201 (E_RNA)
where:
Base-Base interactions energy: -159.467
where: short stacking energy: -77.708
Base-Backbone interact. energy: -0.042
local terms energy: -82.711490
where:
bonds (distance) C4'-P energy: -11.339
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -19.639
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -20.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -242.452875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.452875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.452875 (E_RNA)
where:
Base-Base interactions energy: -160.938
where: short stacking energy: -66.287
Base-Backbone interact. energy: -0.477
local terms energy: -81.037919
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -20.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -201.086979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.086979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.086979 (E_RNA)
where:
Base-Base interactions energy: -126.602
where: short stacking energy: -56.486
Base-Backbone interact. energy: -2.155
local terms energy: -72.329791
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -13.224
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: 4, replica: 3
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -188.433391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.433391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.433391 (E_RNA)
where:
Base-Base interactions energy: -115.003
where: short stacking energy: -55.716
Base-Backbone interact. energy: -0.357
local terms energy: -73.072914
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -19.576
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -12.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -166.754964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.754964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.754964 (E_RNA)
where:
Base-Base interactions energy: -98.998
where: short stacking energy: -36.539
Base-Backbone interact. energy: -1.794
local terms energy: -65.962578
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -6.560
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: 4
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -182.984073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.984073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.984073 (E_RNA)
where:
Base-Base interactions energy: -113.431
where: short stacking energy: -56.962
Base-Backbone interact. energy: -0.092
local terms energy: -69.461096
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -15.317
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: 7, replica: 6
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -99.966176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.966176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.966176 (E_RNA)
where:
Base-Base interactions energy: -47.358
where: short stacking energy: -21.444
Base-Backbone interact. energy: -0.461
local terms energy: -52.146737
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -10.871
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: 0.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -102.537389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.537389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.537389 (E_RNA)
where:
Base-Base interactions energy: -51.372
where: short stacking energy: -35.460
Base-Backbone interact. energy: -0.485
local terms energy: -50.680300
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -6.273
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: 9, replica: 10
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -94.537023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.537023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.537023 (E_RNA)
where:
Base-Base interactions energy: -48.159
where: short stacking energy: -28.366
Base-Backbone interact. energy: -0.845
local terms energy: -45.532271
where:
bonds (distance) C4'-P energy: -9.633
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -4.555
tors. eta vs tors. theta energy: -5.839
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: 10, replica: 8
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -77.100995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.100995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.100995 (E_RNA)
where:
Base-Base interactions energy: -33.419
where: short stacking energy: -28.267
Base-Backbone interact. energy: -0.082
local terms energy: -43.599658
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -10.627
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: 1.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -248.607687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.607687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.607687 (E_RNA)
where:
Base-Base interactions energy: -173.467
where: short stacking energy: -73.197
Base-Backbone interact. energy: -0.852
local terms energy: -74.289527
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -17.614
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: 2, replica: 1
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -236.861073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.861073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.861073 (E_RNA)
where:
Base-Base interactions energy: -148.966
where: short stacking energy: -74.205
Base-Backbone interact. energy: -0.540
local terms energy: -87.355540
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -15.245
tors. eta vs tors. theta energy: -23.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -206.054532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.054532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.054532 (E_RNA)
where:
Base-Base interactions energy: -126.492
where: short stacking energy: -61.858
Base-Backbone interact. energy: 0.389
local terms energy: -79.951352
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -14.144
tors. eta vs tors. theta energy: -18.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -209.227774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.227774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.227774 (E_RNA)
where:
Base-Base interactions energy: -138.681
where: short stacking energy: -53.686
Base-Backbone interact. energy: -0.129
local terms energy: -70.417729
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -7.102
tors. eta vs tors. theta energy: -14.930
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: 7
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -172.320286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.320286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.320286 (E_RNA)
where:
Base-Base interactions energy: -119.458
where: short stacking energy: -59.216
Base-Backbone interact. energy: -0.118
local terms energy: -52.744550
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -6.573
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -5.864
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: 4
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -196.875612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.875612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.875612 (E_RNA)
where:
Base-Base interactions energy: -111.334
where: short stacking energy: -62.758
Base-Backbone interact. energy: -0.040
local terms energy: -85.502135
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -19.261
flat angles P-C4'-P energy: -13.754
tors. eta vs tors. theta energy: -19.730
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: 9
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -92.891216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.891216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.891216 (E_RNA)
where:
Base-Base interactions energy: -42.736
where: short stacking energy: -38.694
Base-Backbone interact. energy: -0.085
local terms energy: -50.070759
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -11.575
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -101.429151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.429151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.429151 (E_RNA)
where:
Base-Base interactions energy: -54.046
where: short stacking energy: -38.051
Base-Backbone interact. energy: -0.332
local terms energy: -47.050805
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -3.086
tors. eta vs tors. theta energy: -1.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -98.878264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.878264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.878264 (E_RNA)
where:
Base-Base interactions energy: -33.477
where: short stacking energy: -33.475
Base-Backbone interact. energy: -0.423
local terms energy: -64.977733
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -6.364
tors. eta vs tors. theta energy: -11.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -80.508135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.508135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.508135 (E_RNA)
where:
Base-Base interactions energy: -29.701
where: short stacking energy: -20.346
Base-Backbone interact. energy: -0.230
local terms energy: -50.577207
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -0.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -256.834332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.834332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.834332 (E_RNA)
where:
Base-Base interactions energy: -177.724
where: short stacking energy: -76.101
Base-Backbone interact. energy: -0.496
local terms energy: -78.614287
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -20.177
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: 1
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -230.292439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.292439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.292439 (E_RNA)
where:
Base-Base interactions energy: -150.364
where: short stacking energy: -67.905
Base-Backbone interact. energy: -0.315
local terms energy: -79.613466
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -22.238
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: 3, replica: 3
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -208.183569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.183569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.183569 (E_RNA)
where:
Base-Base interactions energy: -126.972
where: short stacking energy: -71.479
Base-Backbone interact. energy: -0.005
local terms energy: -81.206167
where:
bonds (distance) C4'-P energy: -18.551
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -8.921
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: 5
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -219.144888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.144888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.144888 (E_RNA)
where:
Base-Base interactions energy: -140.410
where: short stacking energy: -54.114
Base-Backbone interact. energy: -0.631
local terms energy: -78.104518
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -11.933
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: 5, replica: 7
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -188.273311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.273311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.273311 (E_RNA)
where:
Base-Base interactions energy: -122.914
where: short stacking energy: -58.856
Base-Backbone interact. energy: -0.084
local terms energy: -65.275628
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -13.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -183.713705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.713705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.713705 (E_RNA)
where:
Base-Base interactions energy: -122.215
where: short stacking energy: -57.949
Base-Backbone interact. energy: -0.142
local terms energy: -61.356095
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -12.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -118.085592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.085592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.085592 (E_RNA)
where:
Base-Base interactions energy: -63.156
where: short stacking energy: -52.038
Base-Backbone interact. energy: -0.009
local terms energy: -54.919847
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -10.328
flat angles P-C4'-P energy: -6.299
tors. eta vs tors. theta energy: -10.895
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: 193
Temperature: 1.250000
Total energy: -97.853191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.853191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.853191 (E_RNA)
where:
Base-Base interactions energy: -40.134
where: short stacking energy: -22.425
Base-Backbone interact. energy: -0.377
local terms energy: -57.342279
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -1.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -99.272187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.272187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.272187 (E_RNA)
where:
Base-Base interactions energy: -49.565
where: short stacking energy: -29.661
Base-Backbone interact. energy: -0.295
local terms energy: -49.411531
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: 1.085
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: 8
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -82.384353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.384353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.384353 (E_RNA)
where:
Base-Base interactions energy: -23.006
where: short stacking energy: -23.006
Base-Backbone interact. energy: -0.067
local terms energy: -59.310491
where:
bonds (distance) C4'-P energy: -18.315
bonds (distance) P-C4' energy: -11.723
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -7.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -235.279307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.279307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.279307 (E_RNA)
where:
Base-Base interactions energy: -152.478
where: short stacking energy: -77.284
Base-Backbone interact. energy: 0.201
local terms energy: -83.002041
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -12.673
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: 2, replica: 2
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -238.014021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.014021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.014021 (E_RNA)
where:
Base-Base interactions energy: -163.311
where: short stacking energy: -65.127
Base-Backbone interact. energy: -0.509
local terms energy: -74.194817
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -17.976
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -17.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -219.099059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.099059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.099059 (E_RNA)
where:
Base-Base interactions energy: -133.093
where: short stacking energy: -73.871
Base-Backbone interact. energy: 0.018
local terms energy: -86.024423
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -19.775
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -20.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -230.333239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.333239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.333239 (E_RNA)
where:
Base-Base interactions energy: -156.381
where: short stacking energy: -74.731
Base-Backbone interact. energy: -1.536
local terms energy: -72.415748
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -17.294
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: 7
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -182.145882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.145882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.145882 (E_RNA)
where:
Base-Base interactions energy: -110.836
where: short stacking energy: -49.394
Base-Backbone interact. energy: -0.053
local terms energy: -71.256746
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -11.872
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: 4
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -199.801139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.801139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.801139 (E_RNA)
where:
Base-Base interactions energy: -126.112
where: short stacking energy: -60.954
Base-Backbone interact. energy: -0.174
local terms energy: -73.515337
where:
bonds (distance) C4'-P energy: -16.527
bonds (distance) P-C4' energy: -13.076
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -19.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -95.244959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.244959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.244959 (E_RNA)
where:
Base-Base interactions energy: -40.980
where: short stacking energy: -37.719
Base-Backbone interact. energy: -0.131
local terms energy: -54.133823
where:
bonds (distance) C4'-P energy: -12.664
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -0.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -85.527340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.527340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.527340 (E_RNA)
where:
Base-Base interactions energy: -27.495
where: short stacking energy: -25.164
Base-Backbone interact. energy: 1.418
local terms energy: -59.450418
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -1.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -87.536647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.536647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.536647 (E_RNA)
where:
Base-Base interactions energy: -27.661
where: short stacking energy: -27.087
Base-Backbone interact. energy: -0.189
local terms energy: -59.686505
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -9.603
flat angles P-C4'-P energy: -9.220
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: 10, replica: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -78.764102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.764102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.764102 (E_RNA)
where:
Base-Base interactions energy: -32.467
where: short stacking energy: -32.807
Base-Backbone interact. energy: 0.199
local terms energy: -46.496725
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -7.505
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -2.391
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: 1, replica: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -241.116857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.116857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.116857 (E_RNA)
where:
Base-Base interactions energy: -155.753
where: short stacking energy: -78.744
Base-Backbone interact. energy: -0.002
local terms energy: -85.361595
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -22.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -227.078566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.078566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.078566 (E_RNA)
where:
Base-Base interactions energy: -141.572
where: short stacking energy: -77.062
Base-Backbone interact. energy: -0.172
local terms energy: -85.334199
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: -24.611
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: 2
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -236.361865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.361865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.361865 (E_RNA)
where:
Base-Base interactions energy: -168.443
where: short stacking energy: -62.979
Base-Backbone interact. energy: 1.490
local terms energy: -69.408168
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -14.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -217.414457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.414457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.414457 (E_RNA)
where:
Base-Base interactions energy: -153.963
where: short stacking energy: -69.117
Base-Backbone interact. energy: -0.313
local terms energy: -63.138397
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -12.984
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -12.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -202.231319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.231319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.231319 (E_RNA)
where:
Base-Base interactions energy: -131.048
where: short stacking energy: -56.259
Base-Backbone interact. energy: -0.478
local terms energy: -70.705653
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -14.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -181.697015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.697015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.697015 (E_RNA)
where:
Base-Base interactions energy: -112.154
where: short stacking energy: -59.717
Base-Backbone interact. energy: -0.050
local terms energy: -69.493149
where:
bonds (distance) C4'-P energy: -17.325
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -12.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -98.312022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.312022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.312022 (E_RNA)
where:
Base-Base interactions energy: -45.041
where: short stacking energy: -29.918
Base-Backbone interact. energy: 2.504
local terms energy: -55.775046
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -9.946
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: 8, replica: 8
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -99.725447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.725447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.725447 (E_RNA)
where:
Base-Base interactions energy: -34.773
where: short stacking energy: -33.768
Base-Backbone interact. energy: 0.412
local terms energy: -65.364235
where:
bonds (distance) C4'-P energy: -17.620
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -10.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -94.642427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.642427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.642427 (E_RNA)
where:
Base-Base interactions energy: -36.131
where: short stacking energy: -33.553
Base-Backbone interact. energy: 1.362
local terms energy: -59.873269
where:
bonds (distance) C4'-P energy: -17.922
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -6.664
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: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -89.218504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.218504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.218504 (E_RNA)
where:
Base-Base interactions energy: -38.751
where: short stacking energy: -38.751
Base-Backbone interact. energy: -0.161
local terms energy: -50.306924
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -11.039
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -3.940
tors. eta vs tors. theta energy: -7.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -233.867383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.867383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.867383 (E_RNA)
where:
Base-Base interactions energy: -151.950
where: short stacking energy: -66.578
Base-Backbone interact. energy: -0.429
local terms energy: -81.488379
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -18.835
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -17.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -215.278574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.278574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.278574 (E_RNA)
where:
Base-Base interactions energy: -132.706
where: short stacking energy: -70.477
Base-Backbone interact. energy: -0.085
local terms energy: -82.487291
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -24.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -231.770301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.770301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.770301 (E_RNA)
where:
Base-Base interactions energy: -160.562
where: short stacking energy: -62.599
Base-Backbone interact. energy: -0.661
local terms energy: -70.547563
where:
bonds (distance) C4'-P energy: -17.256
bonds (distance) P-C4' energy: -18.492
flat angles C4'-P-C4' energy: -11.023
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -9.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -239.208424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.208424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.208424 (E_RNA)
where:
Base-Base interactions energy: -173.674
where: short stacking energy: -71.511
Base-Backbone interact. energy: 2.283
local terms energy: -67.816748
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -12.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -197.782637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.782637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.782637 (E_RNA)
where:
Base-Base interactions energy: -123.884
where: short stacking energy: -59.925
Base-Backbone interact. energy: -0.410
local terms energy: -73.489016
where:
bonds (distance) C4'-P energy: -17.002
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -16.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -187.245107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.245107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.245107 (E_RNA)
where:
Base-Base interactions energy: -124.471
where: short stacking energy: -61.016
Base-Backbone interact. energy: -0.996
local terms energy: -61.778305
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -13.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -103.351276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.351276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.351276 (E_RNA)
where:
Base-Base interactions energy: -41.624
where: short stacking energy: -30.258
Base-Backbone interact. energy: -0.949
local terms energy: -60.778589
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -7.523
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: 8, replica: 10
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -87.672011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.672011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.672011 (E_RNA)
where:
Base-Base interactions energy: -35.328
where: short stacking energy: -24.115
Base-Backbone interact. energy: -0.258
local terms energy: -52.085980
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -10.923
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -3.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -91.684926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.684926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.684926 (E_RNA)
where:
Base-Base interactions energy: -36.499
where: short stacking energy: -31.831
Base-Backbone interact. energy: 1.242
local terms energy: -56.427426
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -7.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -78.306604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.306604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.306604 (E_RNA)
where:
Base-Base interactions energy: -34.827
where: short stacking energy: -24.652
Base-Backbone interact. energy: -0.286
local terms energy: -43.193176
where:
bonds (distance) C4'-P energy: -8.110
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: 1.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -236.059712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.059712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.059712 (E_RNA)
where:
Base-Base interactions energy: -159.595
where: short stacking energy: -75.349
Base-Backbone interact. energy: -0.031
local terms energy: -76.433822
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -19.936
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: 5
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -234.179037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.179037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.179037 (E_RNA)
where:
Base-Base interactions energy: -153.409
where: short stacking energy: -62.358
Base-Backbone interact. energy: -0.311
local terms energy: -80.458472
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -16.912
flat angles C4'-P-C4' energy: -20.067
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -15.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -225.741931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.741931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.741931 (E_RNA)
where:
Base-Base interactions energy: -143.091
where: short stacking energy: -79.872
Base-Backbone interact. energy: -0.084
local terms energy: -82.566838
where:
bonds (distance) C4'-P energy: -17.743
bonds (distance) P-C4' energy: -14.981
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -22.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -239.767516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.767516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.767516 (E_RNA)
where:
Base-Base interactions energy: -158.177
where: short stacking energy: -71.438
Base-Backbone interact. energy: -0.270
local terms energy: -81.320820
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -18.452
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -12.991
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: 7
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -187.752623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.752623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.752623 (E_RNA)
where:
Base-Base interactions energy: -128.166
where: short stacking energy: -61.298
Base-Backbone interact. energy: -1.664
local terms energy: -57.922760
where:
bonds (distance) C4'-P energy: -7.429
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -12.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -194.674380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.674380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.674380 (E_RNA)
where:
Base-Base interactions energy: -123.940
where: short stacking energy: -71.446
Base-Backbone interact. energy: -0.049
local terms energy: -70.685324
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -19.040
flat angles P-C4'-P energy: -7.491
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: 7, replica: 8
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -129.347086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.347086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.347086 (E_RNA)
where:
Base-Base interactions energy: -77.558
where: short stacking energy: -47.638
Base-Backbone interact. energy: -1.001
local terms energy: -50.787865
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -12.033
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -4.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -87.859551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.859551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.859551 (E_RNA)
where:
Base-Base interactions energy: -38.296
where: short stacking energy: -38.296
Base-Backbone interact. energy: -0.115
local terms energy: -49.448292
where:
bonds (distance) C4'-P energy: -9.561
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -1.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -103.565862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.565862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.565862 (E_RNA)
where:
Base-Base interactions energy: -49.596
where: short stacking energy: -40.295
Base-Backbone interact. energy: -0.024
local terms energy: -53.946067
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -4.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -107.470605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.470605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.470605 (E_RNA)
where:
Base-Base interactions energy: -43.771
where: short stacking energy: -37.428
Base-Backbone interact. energy: -0.110
local terms energy: -63.590091
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -9.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -249.296275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.296275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.296275 (E_RNA)
where:
Base-Base interactions energy: -166.904
where: short stacking energy: -66.826
Base-Backbone interact. energy: -0.093
local terms energy: -82.299461
where:
bonds (distance) C4'-P energy: -17.884
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -19.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -238.246858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.246858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.246858 (E_RNA)
where:
Base-Base interactions energy: -150.100
where: short stacking energy: -73.811
Base-Backbone interact. energy: -0.292
local terms energy: -87.854391
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -19.001
flat angles C4'-P-C4' energy: -19.964
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -21.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -231.055409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.055409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.055409 (E_RNA)
where:
Base-Base interactions energy: -153.510
where: short stacking energy: -69.474
Base-Backbone interact. energy: -0.272
local terms energy: -77.273459
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -14.210
tors. eta vs tors. theta energy: -16.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -219.391000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.391000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.391000 (E_RNA)
where:
Base-Base interactions energy: -139.081
where: short stacking energy: -71.735
Base-Backbone interact. energy: 0.081
local terms energy: -80.391093
where:
bonds (distance) C4'-P energy: -11.219
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -23.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -186.884973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.884973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.884973 (E_RNA)
where:
Base-Base interactions energy: -119.961
where: short stacking energy: -55.705
Base-Backbone interact. energy: -0.128
local terms energy: -66.796283
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -8.429
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: 6, replica: 7
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -166.927525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.927525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.927525 (E_RNA)
where:
Base-Base interactions energy: -100.638
where: short stacking energy: -49.862
Base-Backbone interact. energy: -0.337
local terms energy: -65.952663
where:
bonds (distance) C4'-P energy: -17.040
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -5.177
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: 7, replica: 6
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -89.964170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.964170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.964170 (E_RNA)
where:
Base-Base interactions energy: -35.812
where: short stacking energy: -29.992
Base-Backbone interact. energy: -0.432
local terms energy: -53.720098
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -8.748
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -2.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -97.680553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.680553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.680553 (E_RNA)
where:
Base-Base interactions energy: -41.974
where: short stacking energy: -35.896
Base-Backbone interact. energy: 1.130
local terms energy: -56.836525
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -10.412
flat angles P-C4'-P energy: -9.541
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: 9, replica: 10
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -86.233066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.233066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.233066 (E_RNA)
where:
Base-Base interactions energy: -35.307
where: short stacking energy: -23.900
Base-Backbone interact. energy: -0.503
local terms energy: -50.423472
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: 0.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -89.469572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.469572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.469572 (E_RNA)
where:
Base-Base interactions energy: -31.295
where: short stacking energy: -28.213
Base-Backbone interact. energy: -0.151
local terms energy: -58.023393
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -4.322
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: 5
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -235.234393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.234393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.234393 (E_RNA)
where:
Base-Base interactions energy: -159.376
where: short stacking energy: -67.203
Base-Backbone interact. energy: -0.468
local terms energy: -75.390480
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -10.323
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: 2
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -241.519635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.519635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.519635 (E_RNA)
where:
Base-Base interactions energy: -159.639
where: short stacking energy: -68.159
Base-Backbone interact. energy: -0.288
local terms energy: -81.592476
where:
bonds (distance) C4'-P energy: -16.104
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -20.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -226.397533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.397533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.397533 (E_RNA)
where:
Base-Base interactions energy: -144.348
where: short stacking energy: -70.339
Base-Backbone interact. energy: -0.013
local terms energy: -82.036479
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -19.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -200.774032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.774032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.774032 (E_RNA)
where:
Base-Base interactions energy: -131.591
where: short stacking energy: -70.239
Base-Backbone interact. energy: -0.174
local terms energy: -69.009309
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -13.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -198.035337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.035337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.035337 (E_RNA)
where:
Base-Base interactions energy: -120.606
where: short stacking energy: -62.606
Base-Backbone interact. energy: -0.026
local terms energy: -77.403156
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -11.410
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: 6, replica: 7
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -165.351598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.351598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.351598 (E_RNA)
where:
Base-Base interactions energy: -100.655
where: short stacking energy: -44.964
Base-Backbone interact. energy: -0.916
local terms energy: -63.780272
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -8.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -115.517370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.517370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.517370 (E_RNA)
where:
Base-Base interactions energy: -54.426
where: short stacking energy: -38.685
Base-Backbone interact. energy: -0.098
local terms energy: -60.993051
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -9.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -90.092004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.092004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.092004 (E_RNA)
where:
Base-Base interactions energy: -38.994
where: short stacking energy: -22.004
Base-Backbone interact. energy: -0.208
local terms energy: -50.890057
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: 2.193
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: 8
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -91.971571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.971571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.971571 (E_RNA)
where:
Base-Base interactions energy: -34.357
where: short stacking energy: -34.357
Base-Backbone interact. energy: 0.572
local terms energy: -58.187063
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -6.146
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: -8.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -78.371029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.371029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.371029 (E_RNA)
where:
Base-Base interactions energy: -24.119
where: short stacking energy: -23.951
Base-Backbone interact. energy: -0.205
local terms energy: -54.047203
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: 1.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -245.710281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.710281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.710281 (E_RNA)
where:
Base-Base interactions energy: -165.142
where: short stacking energy: -75.193
Base-Backbone interact. energy: -0.202
local terms energy: -80.366018
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -16.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -227.158037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.158037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.158037 (E_RNA)
where:
Base-Base interactions energy: -157.240
where: short stacking energy: -70.493
Base-Backbone interact. energy: -0.843
local terms energy: -69.074217
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -11.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -227.713413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.713413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.713413 (E_RNA)
where:
Base-Base interactions energy: -151.051
where: short stacking energy: -70.925
Base-Backbone interact. energy: -0.015
local terms energy: -76.648184
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -22.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -207.094770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.094770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.094770 (E_RNA)
where:
Base-Base interactions energy: -138.125
where: short stacking energy: -60.673
Base-Backbone interact. energy: 1.549
local terms energy: -70.519558
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -16.018
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -14.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -193.088002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.088002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.088002 (E_RNA)
where:
Base-Base interactions energy: -130.644
where: short stacking energy: -71.214
Base-Backbone interact. energy: 0.724
local terms energy: -63.168704
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -5.273
tors. eta vs tors. theta energy: -14.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -172.429886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.429886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.429886 (E_RNA)
where:
Base-Base interactions energy: -105.358
where: short stacking energy: -57.317
Base-Backbone interact. energy: 0.593
local terms energy: -67.664960
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -19.523
flat angles P-C4'-P energy: -4.920
tors. eta vs tors. theta energy: -15.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -96.082975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.082975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.082975 (E_RNA)
where:
Base-Base interactions energy: -45.028
where: short stacking energy: -44.163
Base-Backbone interact. energy: -0.495
local terms energy: -50.559435
where:
bonds (distance) C4'-P energy: -7.757
bonds (distance) P-C4' energy: -10.896
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -6.600
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: 6
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -94.566092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.566092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.566092 (E_RNA)
where:
Base-Base interactions energy: -38.564
where: short stacking energy: -35.561
Base-Backbone interact. energy: -0.041
local terms energy: -55.961647
where:
bonds (distance) C4'-P energy: -13.873
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -4.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -92.650123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.650123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.650123 (E_RNA)
where:
Base-Base interactions energy: -37.320
where: short stacking energy: -37.320
Base-Backbone interact. energy: -0.222
local terms energy: -55.108238
where:
bonds (distance) C4'-P energy: -19.296
bonds (distance) P-C4' energy: -18.334
flat angles C4'-P-C4' energy: -7.336
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: -3.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -88.848513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.848513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.848513 (E_RNA)
where:
Base-Base interactions energy: -34.168
where: short stacking energy: -34.168
Base-Backbone interact. energy: -0.107
local terms energy: -54.573042
where:
bonds (distance) C4'-P energy: -17.197
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -9.001
flat angles P-C4'-P energy: -6.562
tors. eta vs tors. theta energy: -5.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -242.582059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.582059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.582059 (E_RNA)
where:
Base-Base interactions energy: -167.722
where: short stacking energy: -75.764
Base-Backbone interact. energy: 0.506
local terms energy: -75.366482
where:
bonds (distance) C4'-P energy: -12.664
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -15.539
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: 1
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -234.331472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.331472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.331472 (E_RNA)
where:
Base-Base interactions energy: -151.350
where: short stacking energy: -73.303
Base-Backbone interact. energy: -0.207
local terms energy: -82.775195
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -17.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -238.519189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.519189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.519189 (E_RNA)
where:
Base-Base interactions energy: -158.837
where: short stacking energy: -67.010
Base-Backbone interact. energy: -0.739
local terms energy: -78.943399
where:
bonds (distance) C4'-P energy: -18.646
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -18.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -204.605088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.605088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.605088 (E_RNA)
where:
Base-Base interactions energy: -127.689
where: short stacking energy: -68.910
Base-Backbone interact. energy: 0.242
local terms energy: -77.158689
where:
bonds (distance) C4'-P energy: -17.106
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -18.752
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: 4
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -186.584370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.584370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.584370 (E_RNA)
where:
Base-Base interactions energy: -119.392
where: short stacking energy: -67.896
Base-Backbone interact. energy: -0.034
local terms energy: -67.157515
where:
bonds (distance) C4'-P energy: -11.579
bonds (distance) P-C4' energy: -15.817
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -15.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -174.200201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.200201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.200201 (E_RNA)
where:
Base-Base interactions energy: -113.358
where: short stacking energy: -58.488
Base-Backbone interact. energy: 0.360
local terms energy: -61.201352
where:
bonds (distance) C4'-P energy: -8.900
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -6.014
tors. eta vs tors. theta energy: -11.606
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: 7, replica: 10
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -104.238620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.238620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.238620 (E_RNA)
where:
Base-Base interactions energy: -38.222
where: short stacking energy: -33.313
Base-Backbone interact. energy: -0.031
local terms energy: -65.985538
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -7.930
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: 6
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -94.997190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.997190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.997190 (E_RNA)
where:
Base-Base interactions energy: -36.638
where: short stacking energy: -32.942
Base-Backbone interact. energy: -0.222
local terms energy: -58.136523
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -3.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -87.163097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.163097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.163097 (E_RNA)
where:
Base-Base interactions energy: -35.522
where: short stacking energy: -33.373
Base-Backbone interact. energy: -0.354
local terms energy: -51.286904
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -3.411
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: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -83.619998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.619998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.619998 (E_RNA)
where:
Base-Base interactions energy: -32.939
where: short stacking energy: -30.390
Base-Backbone interact. energy: -0.209
local terms energy: -50.472010
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -0.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -241.534057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.534057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.534057 (E_RNA)
where:
Base-Base interactions energy: -166.845
where: short stacking energy: -69.599
Base-Backbone interact. energy: -0.300
local terms energy: -74.388875
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -17.722
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -16.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -231.335220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.335220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.335220 (E_RNA)
where:
Base-Base interactions energy: -152.773
where: short stacking energy: -74.511
Base-Backbone interact. energy: -0.671
local terms energy: -77.891006
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -16.208
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -22.717
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: 2
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -236.140050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.140050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.140050 (E_RNA)
where:
Base-Base interactions energy: -156.755
where: short stacking energy: -75.768
Base-Backbone interact. energy: -0.740
local terms energy: -78.645138
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -19.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -207.170618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.170618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.170618 (E_RNA)
where:
Base-Base interactions energy: -130.824
where: short stacking energy: -71.739
Base-Backbone interact. energy: -0.025
local terms energy: -76.321216
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -18.436
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -18.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -195.461141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.461141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.461141 (E_RNA)
where:
Base-Base interactions energy: -125.739
where: short stacking energy: -60.303
Base-Backbone interact. energy: -0.636
local terms energy: -69.086787
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -17.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -182.154205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.154205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.154205 (E_RNA)
where:
Base-Base interactions energy: -120.202
where: short stacking energy: -51.974
Base-Backbone interact. energy: -0.299
local terms energy: -61.653151
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -10.323
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -10.829
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: 7, replica: 6
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -101.706866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.706866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.706866 (E_RNA)
where:
Base-Base interactions energy: -42.731
where: short stacking energy: -34.800
Base-Backbone interact. energy: -0.177
local terms energy: -58.798721
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -3.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -89.022841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.022841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.022841 (E_RNA)
where:
Base-Base interactions energy: -33.177
where: short stacking energy: -33.177
Base-Backbone interact. energy: -1.715
local terms energy: -54.129879
where:
bonds (distance) C4'-P energy: -8.072
bonds (distance) P-C4' energy: -9.716
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -13.069
tors. eta vs tors. theta energy: -9.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -104.042226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.042226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.042226 (E_RNA)
where:
Base-Base interactions energy: -54.118
where: short stacking energy: -32.339
Base-Backbone interact. energy: -0.151
local terms energy: -49.773156
where:
bonds (distance) C4'-P energy: -8.747
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -9.496
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -9.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -81.617473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.617473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.617473 (E_RNA)
where:
Base-Base interactions energy: -32.065
where: short stacking energy: -32.065
Base-Backbone interact. energy: -0.108
local terms energy: -49.443860
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -11.857
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -12.207
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: 5
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -242.396255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.396255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.396255 (E_RNA)
where:
Base-Base interactions energy: -161.222
where: short stacking energy: -70.737
Base-Backbone interact. energy: -0.582
local terms energy: -80.591686
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -19.550
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -15.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -241.950912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.950912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.950912 (E_RNA)
where:
Base-Base interactions energy: -165.401
where: short stacking energy: -70.979
Base-Backbone interact. energy: -0.713
local terms energy: -75.837619
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -17.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -244.831383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.831383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.831383 (E_RNA)
where:
Base-Base interactions energy: -159.184
where: short stacking energy: -77.134
Base-Backbone interact. energy: -0.028
local terms energy: -85.619494
where:
bonds (distance) C4'-P energy: -17.136
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -14.077
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: 3
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -187.531754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.531754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.531754 (E_RNA)
where:
Base-Base interactions energy: -122.993
where: short stacking energy: -53.445
Base-Backbone interact. energy: -0.735
local terms energy: -63.804642
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -11.469
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: -15.683
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: 4
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -181.026191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.026191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.026191 (E_RNA)
where:
Base-Base interactions energy: -102.820
where: short stacking energy: -56.875
Base-Backbone interact. energy: -0.085
local terms energy: -78.120969
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -16.707
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -14.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -173.765478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.765478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.765478 (E_RNA)
where:
Base-Base interactions energy: -109.429
where: short stacking energy: -57.712
Base-Backbone interact. energy: -0.074
local terms energy: -64.262219
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -9.423
flat angles P-C4'-P energy: -3.931
tors. eta vs tors. theta energy: -14.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -99.793107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.793107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.793107 (E_RNA)
where:
Base-Base interactions energy: -46.678
where: short stacking energy: -36.398
Base-Backbone interact. energy: -0.027
local terms energy: -53.089079
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -5.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -101.048092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.048092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.048092 (E_RNA)
where:
Base-Base interactions energy: -40.939
where: short stacking energy: -36.562
Base-Backbone interact. energy: -0.168
local terms energy: -59.941385
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -15.661
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -6.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -82.657942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.657942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.657942 (E_RNA)
where:
Base-Base interactions energy: -22.837
where: short stacking energy: -22.490
Base-Backbone interact. energy: -0.148
local terms energy: -59.672501
where:
bonds (distance) C4'-P energy: -9.576
bonds (distance) P-C4' energy: -17.758
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -5.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -91.675844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.675844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.675844 (E_RNA)
where:
Base-Base interactions energy: -45.901
where: short stacking energy: -29.006
Base-Backbone interact. energy: -0.317
local terms energy: -45.457133
where:
bonds (distance) C4'-P energy: -9.057
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -11.178
flat angles P-C4'-P energy: -6.394
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: 2
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -241.857519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.857519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.857519 (E_RNA)
where:
Base-Base interactions energy: -164.019
where: short stacking energy: -75.217
Base-Backbone interact. energy: -0.411
local terms energy: -77.426809
where:
bonds (distance) C4'-P energy: -16.829
bonds (distance) P-C4' energy: -17.988
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -17.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -235.231373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.231373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.231373 (E_RNA)
where:
Base-Base interactions energy: -159.242
where: short stacking energy: -68.834
Base-Backbone interact. energy: -0.886
local terms energy: -75.104065
where:
bonds (distance) C4'-P energy: -14.618
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -17.986
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -15.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -222.355764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.355764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.355764 (E_RNA)
where:
Base-Base interactions energy: -145.190
where: short stacking energy: -69.766
Base-Backbone interact. energy: -0.032
local terms energy: -77.133839
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -17.382
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: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -201.571967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.571967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.571967 (E_RNA)
where:
Base-Base interactions energy: -128.941
where: short stacking energy: -70.390
Base-Backbone interact. energy: 0.266
local terms energy: -72.897120
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -20.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -179.238526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.238526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.238526 (E_RNA)
where:
Base-Base interactions energy: -108.521
where: short stacking energy: -66.021
Base-Backbone interact. energy: 0.106
local terms energy: -70.823583
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -9.152
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: 6, replica: 7
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -174.185515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.185515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.185515 (E_RNA)
where:
Base-Base interactions energy: -109.311
where: short stacking energy: -57.216
Base-Backbone interact. energy: -0.004
local terms energy: -64.870101
where:
bonds (distance) C4'-P energy: -11.235
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -14.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -88.456746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.456746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.456746 (E_RNA)
where:
Base-Base interactions energy: -32.193
where: short stacking energy: -29.577
Base-Backbone interact. energy: 0.281
local terms energy: -56.544034
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -4.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -92.027841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.027841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.027841 (E_RNA)
where:
Base-Base interactions energy: -28.965
where: short stacking energy: -27.283
Base-Backbone interact. energy: -0.056
local terms energy: -63.006486
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -11.144
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: 9, replica: 9
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -93.428328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.428328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.428328 (E_RNA)
where:
Base-Base interactions energy: -40.517
where: short stacking energy: -30.723
Base-Backbone interact. energy: -0.999
local terms energy: -51.912977
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -10.943
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -2.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -88.707299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.707299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.707299 (E_RNA)
where:
Base-Base interactions energy: -35.490
where: short stacking energy: -34.278
Base-Backbone interact. energy: -0.003
local terms energy: -53.215172
where:
bonds (distance) C4'-P energy: -10.432
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -6.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -248.890117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.890117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.890117 (E_RNA)
where:
Base-Base interactions energy: -162.955
where: short stacking energy: -77.523
Base-Backbone interact. energy: -0.119
local terms energy: -85.815986
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -18.057
flat angles C4'-P-C4' energy: -18.694
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -19.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -236.354407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.354407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.354407 (E_RNA)
where:
Base-Base interactions energy: -158.014
where: short stacking energy: -66.601
Base-Backbone interact. energy: -0.526
local terms energy: -77.814273
where:
bonds (distance) C4'-P energy: -10.411
bonds (distance) P-C4' energy: -18.777
flat angles C4'-P-C4' energy: -18.198
flat angles P-C4'-P energy: -12.367
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: 1
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -216.988232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.988232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.988232 (E_RNA)
where:
Base-Base interactions energy: -143.193
where: short stacking energy: -66.203
Base-Backbone interact. energy: -0.384
local terms energy: -73.411439
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -14.680
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: 4, replica: 3
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -211.488648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.488648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.488648 (E_RNA)
where:
Base-Base interactions energy: -132.896
where: short stacking energy: -67.157
Base-Backbone interact. energy: -0.102
local terms energy: -78.491538
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -19.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -176.981170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.981170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.981170 (E_RNA)
where:
Base-Base interactions energy: -106.110
where: short stacking energy: -64.090
Base-Backbone interact. energy: -1.306
local terms energy: -69.564852
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -19.932
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: 8
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -107.962803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.962803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.962803 (E_RNA)
where:
Base-Base interactions energy: -46.156
where: short stacking energy: -45.100
Base-Backbone interact. energy: -0.109
local terms energy: -61.698445
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -10.018
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: 7
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -110.833026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.833026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.833026 (E_RNA)
where:
Base-Base interactions energy: -55.781
where: short stacking energy: -23.312
Base-Backbone interact. energy: -0.300
local terms energy: -54.752085
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -1.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -85.466105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.466105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.466105 (E_RNA)
where:
Base-Base interactions energy: -31.503
where: short stacking energy: -23.320
Base-Backbone interact. energy: -0.228
local terms energy: -53.735744
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: 1.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -92.975029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.975029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.975029 (E_RNA)
where:
Base-Base interactions energy: -35.012
where: short stacking energy: -25.006
Base-Backbone interact. energy: 0.729
local terms energy: -58.691322
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -13.209
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: 205
Temperature: 1.350000
Total energy: -84.949602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.949602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.949602 (E_RNA)
where:
Base-Base interactions energy: -32.583
where: short stacking energy: -24.633
Base-Backbone interact. energy: -0.040
local terms energy: -52.326716
where:
bonds (distance) C4'-P energy: -8.134
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -5.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -246.486988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.486988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.486988 (E_RNA)
where:
Base-Base interactions energy: -161.283
where: short stacking energy: -70.669
Base-Backbone interact. energy: -0.111
local terms energy: -85.092457
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -17.400
flat angles C4'-P-C4' energy: -19.319
flat angles P-C4'-P energy: -10.821
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: 2, replica: 5
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -233.262499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.262499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.262499 (E_RNA)
where:
Base-Base interactions energy: -155.259
where: short stacking energy: -64.839
Base-Backbone interact. energy: -0.607
local terms energy: -77.397385
where:
bonds (distance) C4'-P energy: -19.350
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -18.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -212.795482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.795482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.795482 (E_RNA)
where:
Base-Base interactions energy: -138.937
where: short stacking energy: -75.072
Base-Backbone interact. energy: -0.138
local terms energy: -73.720332
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -20.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -220.386873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.386873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.386873 (E_RNA)
where:
Base-Base interactions energy: -144.657
where: short stacking energy: -68.207
Base-Backbone interact. energy: 0.352
local terms energy: -76.081957
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -16.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -193.578901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.578901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.578901 (E_RNA)
where:
Base-Base interactions energy: -119.849
where: short stacking energy: -57.165
Base-Backbone interact. energy: -0.081
local terms energy: -73.648970
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -15.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -115.744559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.744559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.744559 (E_RNA)
where:
Base-Base interactions energy: -43.216
where: short stacking energy: -30.313
Base-Backbone interact. energy: -0.171
local terms energy: -72.357236
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -17.772
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -10.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -102.337801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.337801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.337801 (E_RNA)
where:
Base-Base interactions energy: -51.025
where: short stacking energy: -51.025
Base-Backbone interact. energy: -0.097
local terms energy: -51.215764
where:
bonds (distance) C4'-P energy: -6.773
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -9.776
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -9.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -83.346216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.346216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.346216 (E_RNA)
where:
Base-Base interactions energy: -29.212
where: short stacking energy: -29.212
Base-Backbone interact. energy: -0.316
local terms energy: -53.817797
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -17.735
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -9.304
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: 9, replica: 10
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -115.701344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.701344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.701344 (E_RNA)
where:
Base-Base interactions energy: -65.810
where: short stacking energy: -31.928
Base-Backbone interact. energy: -0.329
local terms energy: -49.563017
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -4.175
tors. eta vs tors. theta energy: -3.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -84.152720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.152720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.152720 (E_RNA)
where:
Base-Base interactions energy: -38.288
where: short stacking energy: -29.122
Base-Backbone interact. energy: -0.154
local terms energy: -45.710875
where:
bonds (distance) C4'-P energy: -7.668
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -2.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -244.582752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.582752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.582752 (E_RNA)
where:
Base-Base interactions energy: -155.688
where: short stacking energy: -74.678
Base-Backbone interact. energy: -0.207
local terms energy: -88.688117
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -18.547
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -14.547
tors. eta vs tors. theta energy: -21.786
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: 2, replica: 5
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -242.346469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.346469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.346469 (E_RNA)
where:
Base-Base interactions energy: -163.263
where: short stacking energy: -72.846
Base-Backbone interact. energy: -0.635
local terms energy: -78.449044
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -15.109
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -16.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -224.605336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.605336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.605336 (E_RNA)
where:
Base-Base interactions energy: -150.745
where: short stacking energy: -71.989
Base-Backbone interact. energy: -0.270
local terms energy: -73.590366
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -22.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -226.430798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.430798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.430798 (E_RNA)
where:
Base-Base interactions energy: -147.762
where: short stacking energy: -73.188
Base-Backbone interact. energy: -0.036
local terms energy: -78.632860
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -20.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -188.543877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.543877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.543877 (E_RNA)
where:
Base-Base interactions energy: -127.036
where: short stacking energy: -60.246
Base-Backbone interact. energy: -0.537
local terms energy: -60.971293
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -9.756
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -14.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -97.635153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.635153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.635153 (E_RNA)
where:
Base-Base interactions energy: -32.873
where: short stacking energy: -32.991
Base-Backbone interact. energy: -0.291
local terms energy: -64.471224
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -5.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -92.378443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.378443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.378443 (E_RNA)
where:
Base-Base interactions energy: -44.514
where: short stacking energy: -44.476
Base-Backbone interact. energy: 0.303
local terms energy: -48.166918
where:
bonds (distance) C4'-P energy: -9.165
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -8.773
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -6.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -91.216382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.216382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.216382 (E_RNA)
where:
Base-Base interactions energy: -45.124
where: short stacking energy: -18.703
Base-Backbone interact. energy: -0.193
local terms energy: -45.899644
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -9.157
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: 0.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -94.634288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.634288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.634288 (E_RNA)
where:
Base-Base interactions energy: -39.485
where: short stacking energy: -26.710
Base-Backbone interact. energy: -0.408
local terms energy: -54.741256
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -10.068
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -5.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -81.561984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.561984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.561984 (E_RNA)
where:
Base-Base interactions energy: -27.401
where: short stacking energy: -22.075
Base-Backbone interact. energy: 0.427
local terms energy: -54.587634
where:
bonds (distance) C4'-P energy: -18.542
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: 1.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -245.433579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.433579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.433579 (E_RNA)
where:
Base-Base interactions energy: -163.819
where: short stacking energy: -72.290
Base-Backbone interact. energy: -0.088
local terms energy: -81.527042
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -16.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -247.211091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.211091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.211091 (E_RNA)
where:
Base-Base interactions energy: -164.751
where: short stacking energy: -75.522
Base-Backbone interact. energy: -0.518
local terms energy: -81.942278
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -18.859
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -20.664
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: 1
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -222.465799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.465799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.465799 (E_RNA)
where:
Base-Base interactions energy: -143.823
where: short stacking energy: -70.670
Base-Backbone interact. energy: -0.783
local terms energy: -77.859346
where:
bonds (distance) C4'-P energy: -12.051
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -19.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -214.541165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.541165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.541165 (E_RNA)
where:
Base-Base interactions energy: -134.354
where: short stacking energy: -49.325
Base-Backbone interact. energy: -0.156
local terms energy: -80.030788
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -15.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -194.785432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.785432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.785432 (E_RNA)
where:
Base-Base interactions energy: -121.144
where: short stacking energy: -64.488
Base-Backbone interact. energy: -0.007
local terms energy: -73.633889
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -11.308
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -16.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -106.262305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.262305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.262305 (E_RNA)
where:
Base-Base interactions energy: -44.187
where: short stacking energy: -41.563
Base-Backbone interact. energy: -0.212
local terms energy: -61.863141
where:
bonds (distance) C4'-P energy: -18.852
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -11.128
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -3.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -116.629118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.629118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.629118 (E_RNA)
where:
Base-Base interactions energy: -55.217
where: short stacking energy: -40.619
Base-Backbone interact. energy: -0.184
local terms energy: -61.228176
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -5.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -106.714300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.714300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.714300 (E_RNA)
where:
Base-Base interactions energy: -48.056
where: short stacking energy: -48.056
Base-Backbone interact. energy: -0.110
local terms energy: -58.548966
where:
bonds (distance) C4'-P energy: -9.604
bonds (distance) P-C4' energy: -17.271
flat angles C4'-P-C4' energy: -10.578
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -10.354
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: 6
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -87.869724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.869724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.869724 (E_RNA)
where:
Base-Base interactions energy: -36.383
where: short stacking energy: -36.383
Base-Backbone interact. energy: 0.102
local terms energy: -51.588342
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -6.531
tors. eta vs tors. theta energy: -5.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -112.715849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.715849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.715849 (E_RNA)
where:
Base-Base interactions energy: -53.676
where: short stacking energy: -41.936
Base-Backbone interact. energy: -0.606
local terms energy: -58.433480
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -9.164
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -3.733
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: 1, replica: 5
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -234.049821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.049821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.049821 (E_RNA)
where:
Base-Base interactions energy: -159.631
where: short stacking energy: -67.485
Base-Backbone interact. energy: -0.968
local terms energy: -73.450259
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -18.917
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -14.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -240.301903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.301903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.301903 (E_RNA)
where:
Base-Base interactions energy: -152.220
where: short stacking energy: -77.049
Base-Backbone interact. energy: -0.037
local terms energy: -88.045042
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -18.534
flat angles P-C4'-P energy: -14.413
tors. eta vs tors. theta energy: -23.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -238.027913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.027913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.027913 (E_RNA)
where:
Base-Base interactions energy: -161.174
where: short stacking energy: -63.125
Base-Backbone interact. energy: -0.361
local terms energy: -76.492857
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -11.144
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: 4, replica: 4
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -218.041297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.041297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.041297 (E_RNA)
where:
Base-Base interactions energy: -140.660
where: short stacking energy: -74.142
Base-Backbone interact. energy: -0.159
local terms energy: -77.221935
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -7.248
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -22.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -207.736641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.736641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.736641 (E_RNA)
where:
Base-Base interactions energy: -132.729
where: short stacking energy: -55.865
Base-Backbone interact. energy: 0.657
local terms energy: -75.664692
where:
bonds (distance) C4'-P energy: -18.878
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -15.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -94.063152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.063152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.063152 (E_RNA)
where:
Base-Base interactions energy: -38.797
where: short stacking energy: -38.620
Base-Backbone interact. energy: -0.091
local terms energy: -55.174996
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -10.283
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -5.583
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: 7
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -155.302441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.302441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.302441 (E_RNA)
where:
Base-Base interactions energy: -89.131
where: short stacking energy: -48.239
Base-Backbone interact. energy: -0.152
local terms energy: -66.020264
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -17.507
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -10.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -99.228116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.228116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.228116 (E_RNA)
where:
Base-Base interactions energy: -39.701
where: short stacking energy: -39.701
Base-Backbone interact. energy: -0.051
local terms energy: -59.476801
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -10.425
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -10.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -87.240490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.240490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.240490 (E_RNA)
where:
Base-Base interactions energy: -30.841
where: short stacking energy: -30.368
Base-Backbone interact. energy: 2.091
local terms energy: -58.491011
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -4.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -90.815828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.815828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.815828 (E_RNA)
where:
Base-Base interactions energy: -34.914
where: short stacking energy: -33.346
Base-Backbone interact. energy: 1.457
local terms energy: -57.358814
where:
bonds (distance) C4'-P energy: -17.090
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: 0.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -241.716828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.716828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.716828 (E_RNA)
where:
Base-Base interactions energy: -162.933
where: short stacking energy: -74.642
Base-Backbone interact. energy: -0.210
local terms energy: -78.574031
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -18.828
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -18.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -229.333755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.333755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.333755 (E_RNA)
where:
Base-Base interactions energy: -151.190
where: short stacking energy: -62.104
Base-Backbone interact. energy: -0.951
local terms energy: -77.192159
where:
bonds (distance) C4'-P energy: -17.734
bonds (distance) P-C4' energy: -18.268
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: -9.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -231.825483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.825483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.825483 (E_RNA)
where:
Base-Base interactions energy: -150.362
where: short stacking energy: -76.331
Base-Backbone interact. energy: -0.224
local terms energy: -81.239067
where:
bonds (distance) C4'-P energy: -18.471
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -19.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -207.894056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.894056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.894056 (E_RNA)
where:
Base-Base interactions energy: -135.397
where: short stacking energy: -71.002
Base-Backbone interact. energy: -0.020
local terms energy: -72.477203
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -13.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -193.867208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.867208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.867208 (E_RNA)
where:
Base-Base interactions energy: -123.986
where: short stacking energy: -60.916
Base-Backbone interact. energy: 0.259
local terms energy: -70.140833
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -14.485
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -15.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -123.769161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.769161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.769161 (E_RNA)
where:
Base-Base interactions energy: -54.030
where: short stacking energy: -53.746
Base-Backbone interact. energy: -0.008
local terms energy: -69.731197
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -17.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -156.956514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.956514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.956514 (E_RNA)
where:
Base-Base interactions energy: -92.919
where: short stacking energy: -46.121
Base-Backbone interact. energy: 0.225
local terms energy: -64.262446
where:
bonds (distance) C4'-P energy: -10.573
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -12.039
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: 8, replica: 6
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -92.476375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.476375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.476375 (E_RNA)
where:
Base-Base interactions energy: -35.919
where: short stacking energy: -24.282
Base-Backbone interact. energy: -0.164
local terms energy: -56.393824
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -9.617
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: 9, replica: 10
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -82.914897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.914897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.914897 (E_RNA)
where:
Base-Base interactions energy: -31.657
where: short stacking energy: -28.112
Base-Backbone interact. energy: -0.072
local terms energy: -51.186289
where:
bonds (distance) C4'-P energy: -4.871
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -7.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -79.687217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.687217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.687217 (E_RNA)
where:
Base-Base interactions energy: -31.344
where: short stacking energy: -31.344
Base-Backbone interact. energy: -0.075
local terms energy: -48.267774
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -3.609
flat angles P-C4'-P energy: -14.170
tors. eta vs tors. theta energy: -5.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -227.428748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.428748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.428748 (E_RNA)
where:
Base-Base interactions energy: -149.919
where: short stacking energy: -69.098
Base-Backbone interact. energy: -0.139
local terms energy: -77.370403
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -12.570
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: 2, replica: 2
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -231.762790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.762790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.762790 (E_RNA)
where:
Base-Base interactions energy: -154.488
where: short stacking energy: -69.031
Base-Backbone interact. energy: -0.169
local terms energy: -77.105044
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -15.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -232.385924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.385924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.385924 (E_RNA)
where:
Base-Base interactions energy: -154.901
where: short stacking energy: -64.812
Base-Backbone interact. energy: -0.489
local terms energy: -76.996257
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -16.599
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: 211
Temperature: 1.050000
Total energy: -211.406251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.406251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.406251 (E_RNA)
where:
Base-Base interactions energy: -139.469
where: short stacking energy: -68.858
Base-Backbone interact. energy: -1.618
local terms energy: -70.319349
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -17.525
flat angles P-C4'-P energy: -3.795
tors. eta vs tors. theta energy: -15.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -178.135994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.135994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.135994 (E_RNA)
where:
Base-Base interactions energy: -105.465
where: short stacking energy: -60.191
Base-Backbone interact. energy: -0.127
local terms energy: -72.544714
where:
bonds (distance) C4'-P energy: -14.461
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -16.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -142.249069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.249069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.249069 (E_RNA)
where:
Base-Base interactions energy: -77.845
where: short stacking energy: -51.385
Base-Backbone interact. energy: -0.189
local terms energy: -64.215112
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -9.836
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: 9
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -90.127875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.127875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.127875 (E_RNA)
where:
Base-Base interactions energy: -31.876
where: short stacking energy: -31.161
Base-Backbone interact. energy: -0.357
local terms energy: -57.894574
where:
bonds (distance) C4'-P energy: -10.734
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -6.518
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: 10
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -93.913592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.913592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.913592 (E_RNA)
where:
Base-Base interactions energy: -47.165
where: short stacking energy: -46.785
Base-Backbone interact. energy: 1.453
local terms energy: -48.201280
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -15.785
flat angles C4'-P-C4' energy: -5.818
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -9.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -85.212026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.212026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.212026 (E_RNA)
where:
Base-Base interactions energy: -26.757
where: short stacking energy: -25.247
Base-Backbone interact. energy: -0.131
local terms energy: -58.324004
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -2.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -83.137881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.137881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.137881 (E_RNA)
where:
Base-Base interactions energy: -31.489
where: short stacking energy: -30.732
Base-Backbone interact. energy: -0.287
local terms energy: -51.361580
where:
bonds (distance) C4'-P energy: -11.239
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -0.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -245.970238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.970238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.970238 (E_RNA)
where:
Base-Base interactions energy: -165.303
where: short stacking energy: -73.513
Base-Backbone interact. energy: -0.360
local terms energy: -80.307426
where:
bonds (distance) C4'-P energy: -17.449
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -21.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -233.502667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.502667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.502667 (E_RNA)
where:
Base-Base interactions energy: -157.911
where: short stacking energy: -68.705
Base-Backbone interact. energy: 0.116
local terms energy: -75.707595
where:
bonds (distance) C4'-P energy: -8.354
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -18.941
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -18.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -206.507106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.507106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.507106 (E_RNA)
where:
Base-Base interactions energy: -131.894
where: short stacking energy: -59.495
Base-Backbone interact. energy: -0.716
local terms energy: -73.897666
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -13.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -219.425874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.425874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.425874 (E_RNA)
where:
Base-Base interactions energy: -150.106
where: short stacking energy: -59.691
Base-Backbone interact. energy: -0.422
local terms energy: -68.897857
where:
bonds (distance) C4'-P energy: -11.074
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -14.202
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: 7
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -150.465401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.465401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.465401 (E_RNA)
where:
Base-Base interactions energy: -83.496
where: short stacking energy: -43.850
Base-Backbone interact. energy: -0.112
local terms energy: -66.857491
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: -11.307
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: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -181.764449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.764449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.764449 (E_RNA)
where:
Base-Base interactions energy: -108.357
where: short stacking energy: -69.208
Base-Backbone interact. energy: -0.090
local terms energy: -73.316934
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -17.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -92.884928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.884928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.884928 (E_RNA)
where:
Base-Base interactions energy: -41.326
where: short stacking energy: -31.412
Base-Backbone interact. energy: 0.022
local terms energy: -51.581348
where:
bonds (distance) C4'-P energy: -11.099
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -3.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -95.275859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.275859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.275859 (E_RNA)
where:
Base-Base interactions energy: -45.585
where: short stacking energy: -45.585
Base-Backbone interact. energy: -0.013
local terms energy: -49.678359
where:
bonds (distance) C4'-P energy: -6.062
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -6.204
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: 9, replica: 8
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -89.570305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.570305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.570305 (E_RNA)
where:
Base-Base interactions energy: -32.531
where: short stacking energy: -23.772
Base-Backbone interact. energy: -0.700
local terms energy: -56.339306
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -11.885
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -6.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -82.110343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.110343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.110343 (E_RNA)
where:
Base-Base interactions energy: -30.659
where: short stacking energy: -28.411
Base-Backbone interact. energy: -0.292
local terms energy: -51.158883
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -1.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -248.594177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.594177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.594177 (E_RNA)
where:
Base-Base interactions energy: -166.804
where: short stacking energy: -77.063
Base-Backbone interact. energy: -0.770
local terms energy: -81.020116
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -18.692
flat angles C4'-P-C4' energy: -18.534
flat angles P-C4'-P energy: -10.643
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: 2, replica: 4
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -212.762275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.762275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.762275 (E_RNA)
where:
Base-Base interactions energy: -135.855
where: short stacking energy: -72.475
Base-Backbone interact. energy: 0.259
local terms energy: -77.165709
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -19.323
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -19.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -233.912413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.912413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.912413 (E_RNA)
where:
Base-Base interactions energy: -151.542
where: short stacking energy: -71.947
Base-Backbone interact. energy: -0.315
local terms energy: -82.056148
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -18.470
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -20.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -225.843094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.843094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.843094 (E_RNA)
where:
Base-Base interactions energy: -151.675
where: short stacking energy: -65.844
Base-Backbone interact. energy: -1.974
local terms energy: -72.193406
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -18.545
flat angles P-C4'-P energy: -10.734
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: 7
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -143.047507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.047507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.047507 (E_RNA)
where:
Base-Base interactions energy: -85.559
where: short stacking energy: -46.751
Base-Backbone interact. energy: -0.243
local terms energy: -57.245069
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -5.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -172.723159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.723159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.723159 (E_RNA)
where:
Base-Base interactions energy: -97.437
where: short stacking energy: -57.929
Base-Backbone interact. energy: -0.664
local terms energy: -74.622503
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -14.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -94.360439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.360439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.360439 (E_RNA)
where:
Base-Base interactions energy: -36.216
where: short stacking energy: -36.216
Base-Backbone interact. energy: -0.227
local terms energy: -57.917057
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -8.886
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: 8, replica: 8
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -96.756945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.756945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.756945 (E_RNA)
where:
Base-Base interactions energy: -48.384
where: short stacking energy: -30.199
Base-Backbone interact. energy: -0.642
local terms energy: -47.731645
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -2.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -83.327910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.327910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.327910 (E_RNA)
where:
Base-Base interactions energy: -39.020
where: short stacking energy: -23.018
Base-Backbone interact. energy: -0.209
local terms energy: -44.098109
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -7.607
flat angles P-C4'-P energy: -5.585
tors. eta vs tors. theta energy: -0.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -78.846405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.846405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.846405 (E_RNA)
where:
Base-Base interactions energy: -31.163
where: short stacking energy: -29.773
Base-Backbone interact. energy: -0.243
local terms energy: -47.440913
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -8.419
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: 4
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -216.731130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.731130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.731130 (E_RNA)
where:
Base-Base interactions energy: -133.223
where: short stacking energy: -64.702
Base-Backbone interact. energy: -0.060
local terms energy: -83.448139
where:
bonds (distance) C4'-P energy: -11.882
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -19.992
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -21.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -246.358385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.358385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.358385 (E_RNA)
where:
Base-Base interactions energy: -168.700
where: short stacking energy: -69.678
Base-Backbone interact. energy: 0.280
local terms energy: -77.938613
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -19.556
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: 5
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -230.342961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.342961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.342961 (E_RNA)
where:
Base-Base interactions energy: -157.378
where: short stacking energy: -65.544
Base-Backbone interact. energy: -0.097
local terms energy: -72.867986
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -14.923
tors. eta vs tors. theta energy: -12.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -225.442687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.442687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.442687 (E_RNA)
where:
Base-Base interactions energy: -139.526
where: short stacking energy: -63.686
Base-Backbone interact. energy: -0.375
local terms energy: -85.541485
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -20.252
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -18.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -163.529437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.529437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.529437 (E_RNA)
where:
Base-Base interactions energy: -100.505
where: short stacking energy: -41.800
Base-Backbone interact. energy: -0.759
local terms energy: -62.265392
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -17.293
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -4.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -141.471916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.471916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.471916 (E_RNA)
where:
Base-Base interactions energy: -83.170
where: short stacking energy: -39.413
Base-Backbone interact. energy: -0.239
local terms energy: -58.063594
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -6.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -96.367640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.367640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.367640 (E_RNA)
where:
Base-Base interactions energy: -46.816
where: short stacking energy: -18.555
Base-Backbone interact. energy: 0.072
local terms energy: -49.623040
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -9.572
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: 2.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -92.968530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.968530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.968530 (E_RNA)
where:
Base-Base interactions energy: -38.708
where: short stacking energy: -25.059
Base-Backbone interact. energy: -0.991
local terms energy: -53.269680
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -10.184
flat angles P-C4'-P energy: -11.739
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: 9, replica: 6
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -91.873588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.873588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.873588 (E_RNA)
where:
Base-Base interactions energy: -32.546
where: short stacking energy: -27.281
Base-Backbone interact. energy: 1.724
local terms energy: -61.051645
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -14.830
tors. eta vs tors. theta energy: -2.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -82.667653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.667653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.667653 (E_RNA)
where:
Base-Base interactions energy: -26.286
where: short stacking energy: -26.286
Base-Backbone interact. energy: -0.016
local terms energy: -56.365204
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -11.147
flat angles P-C4'-P energy: -12.676
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: 4
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -227.507924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.507924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.507924 (E_RNA)
where:
Base-Base interactions energy: -141.432
where: short stacking energy: -69.203
Base-Backbone interact. energy: -0.430
local terms energy: -85.645438
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -18.436
flat angles P-C4'-P energy: -13.379
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: 2, replica: 2
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -237.326898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.326898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.326898 (E_RNA)
where:
Base-Base interactions energy: -161.546
where: short stacking energy: -73.732
Base-Backbone interact. energy: -0.255
local terms energy: -75.526564
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -18.661
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -20.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -230.675419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.675419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.675419 (E_RNA)
where:
Base-Base interactions energy: -159.715
where: short stacking energy: -67.266
Base-Backbone interact. energy: -0.431
local terms energy: -70.529576
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -10.234
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: 4, replica: 1
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -233.170557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.170557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.170557 (E_RNA)
where:
Base-Base interactions energy: -154.129
where: short stacking energy: -74.934
Base-Backbone interact. energy: -0.016
local terms energy: -79.025366
where:
bonds (distance) C4'-P energy: -18.653
bonds (distance) P-C4' energy: -11.150
flat angles C4'-P-C4' energy: -19.274
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -19.968
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: 3
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -190.815020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.815020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.815020 (E_RNA)
where:
Base-Base interactions energy: -125.088
where: short stacking energy: -46.019
Base-Backbone interact. energy: 0.695
local terms energy: -66.421485
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -6.246
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: 8
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -115.247092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.247092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.247092 (E_RNA)
where:
Base-Base interactions energy: -48.758
where: short stacking energy: -46.788
Base-Backbone interact. energy: 2.586
local terms energy: -69.074536
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -14.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -158.371890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.371890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.371890 (E_RNA)
where:
Base-Base interactions energy: -99.690
where: short stacking energy: -54.867
Base-Backbone interact. energy: -0.545
local terms energy: -58.137136
where:
bonds (distance) C4'-P energy: -8.345
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -5.088
tors. eta vs tors. theta energy: -13.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -110.544032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.544032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.544032 (E_RNA)
where:
Base-Base interactions energy: -55.082
where: short stacking energy: -43.906
Base-Backbone interact. energy: -0.027
local terms energy: -55.434692
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -8.038
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -8.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -86.505128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.505128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.505128 (E_RNA)
where:
Base-Base interactions energy: -29.379
where: short stacking energy: -27.802
Base-Backbone interact. energy: -0.599
local terms energy: -56.526820
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -13.254
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: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -90.396474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.396474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.396474 (E_RNA)
where:
Base-Base interactions energy: -44.223
where: short stacking energy: -32.931
Base-Backbone interact. energy: -0.062
local terms energy: -46.110811
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -10.577
flat angles P-C4'-P energy: -4.065
tors. eta vs tors. theta energy: 0.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -241.549867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.549867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.549867 (E_RNA)
where:
Base-Base interactions energy: -152.471
where: short stacking energy: -67.426
Base-Backbone interact. energy: -0.390
local terms energy: -88.688877
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -19.743
flat angles C4'-P-C4' energy: -18.589
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -20.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -224.845750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.845750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.845750 (E_RNA)
where:
Base-Base interactions energy: -142.028
where: short stacking energy: -75.627
Base-Backbone interact. energy: -0.635
local terms energy: -82.183019
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -22.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -225.960442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.960442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.960442 (E_RNA)
where:
Base-Base interactions energy: -142.455
where: short stacking energy: -66.354
Base-Backbone interact. energy: -0.726
local terms energy: -82.779236
where:
bonds (distance) C4'-P energy: -17.991
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -19.456
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -17.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -225.967905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.967905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.967905 (E_RNA)
where:
Base-Base interactions energy: -156.180
where: short stacking energy: -57.262
Base-Backbone interact. energy: -1.134
local terms energy: -68.653932
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -11.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -208.778492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.778492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.778492 (E_RNA)
where:
Base-Base interactions energy: -138.123
where: short stacking energy: -57.720
Base-Backbone interact. energy: -1.254
local terms energy: -69.402392
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -13.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -119.966056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.966056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.966056 (E_RNA)
where:
Base-Base interactions energy: -66.659
where: short stacking energy: -27.555
Base-Backbone interact. energy: -0.450
local terms energy: -52.857205
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -12.004
flat angles P-C4'-P energy: -5.863
tors. eta vs tors. theta energy: -3.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -173.204902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.204902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.204902 (E_RNA)
where:
Base-Base interactions energy: -106.663
where: short stacking energy: -42.064
Base-Backbone interact. energy: -0.610
local terms energy: -65.931915
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -13.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -93.423309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.423309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.423309 (E_RNA)
where:
Base-Base interactions energy: -35.460
where: short stacking energy: -35.460
Base-Backbone interact. energy: -0.169
local terms energy: -57.793951
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -4.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -100.502696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.502696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.502696 (E_RNA)
where:
Base-Base interactions energy: -50.380
where: short stacking energy: -24.923
Base-Backbone interact. energy: 0.267
local terms energy: -50.390098
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -8.878
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: 1.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -86.999056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.999056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.999056 (E_RNA)
where:
Base-Base interactions energy: -43.396
where: short stacking energy: -20.872
Base-Backbone interact. energy: -0.459
local terms energy: -43.143447
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -6.315
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: 3.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -245.590501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.590501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.590501 (E_RNA)
where:
Base-Base interactions energy: -159.284
where: short stacking energy: -77.658
Base-Backbone interact. energy: -0.501
local terms energy: -85.805649
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -19.186
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -21.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -226.069934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.069934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.069934 (E_RNA)
where:
Base-Base interactions energy: -149.170
where: short stacking energy: -69.804
Base-Backbone interact. energy: -0.898
local terms energy: -76.002297
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -17.134
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: 4
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -211.241088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.241088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.241088 (E_RNA)
where:
Base-Base interactions energy: -134.200
where: short stacking energy: -69.257
Base-Backbone interact. energy: -0.706
local terms energy: -76.334694
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -20.410
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -18.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -207.132480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.132480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.132480 (E_RNA)
where:
Base-Base interactions energy: -139.780
where: short stacking energy: -61.305
Base-Backbone interact. energy: -1.064
local terms energy: -66.288812
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -10.709
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: 5
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -218.096812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.096812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.096812 (E_RNA)
where:
Base-Base interactions energy: -146.701
where: short stacking energy: -64.570
Base-Backbone interact. energy: -1.873
local terms energy: -69.522802
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -5.577
tors. eta vs tors. theta energy: -14.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -170.143498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.143498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.143498 (E_RNA)
where:
Base-Base interactions energy: -109.589
where: short stacking energy: -59.772
Base-Backbone interact. energy: -0.013
local terms energy: -60.541001
where:
bonds (distance) C4'-P energy: -10.921
bonds (distance) P-C4' energy: -14.795
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -0.988
tors. eta vs tors. theta energy: -18.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -142.859256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.859256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.859256 (E_RNA)
where:
Base-Base interactions energy: -79.145
where: short stacking energy: -36.579
Base-Backbone interact. energy: -0.776
local terms energy: -62.938104
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -8.759
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: 8, replica: 9
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -96.480483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.480483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.480483 (E_RNA)
where:
Base-Base interactions energy: -32.354
where: short stacking energy: -32.382
Base-Backbone interact. energy: -0.196
local terms energy: -63.930062
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -9.881
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: 9, replica: 6
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -90.386666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.386666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.386666 (E_RNA)
where:
Base-Base interactions energy: -31.781
where: short stacking energy: -30.056
Base-Backbone interact. energy: -1.024
local terms energy: -57.581665
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -3.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -90.683375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.683375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.683375 (E_RNA)
where:
Base-Base interactions energy: -35.877
where: short stacking energy: -30.831
Base-Backbone interact. energy: -0.145
local terms energy: -54.660915
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -2.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -245.662842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.662842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.662842 (E_RNA)
where:
Base-Base interactions energy: -160.289
where: short stacking energy: -74.364
Base-Backbone interact. energy: -1.615
local terms energy: -83.758862
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -18.643
flat angles P-C4'-P energy: -14.096
tors. eta vs tors. theta energy: -20.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -226.925665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.925665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.925665 (E_RNA)
where:
Base-Base interactions energy: -145.502
where: short stacking energy: -70.649
Base-Backbone interact. energy: -0.031
local terms energy: -81.392101
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -19.203
flat angles C4'-P-C4' energy: -18.685
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -19.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -213.188945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.188945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.188945 (E_RNA)
where:
Base-Base interactions energy: -143.952
where: short stacking energy: -61.960
Base-Backbone interact. energy: -0.368
local terms energy: -68.868344
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -12.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -205.289970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.289970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.289970 (E_RNA)
where:
Base-Base interactions energy: -128.775
where: short stacking energy: -66.442
Base-Backbone interact. energy: -0.002
local terms energy: -76.513013
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -19.183
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -10.553
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: 5, replica: 5
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -216.843610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.843610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.843610 (E_RNA)
where:
Base-Base interactions energy: -145.386
where: short stacking energy: -51.174
Base-Backbone interact. energy: -1.662
local terms energy: -69.795566
where:
bonds (distance) C4'-P energy: -18.807
bonds (distance) P-C4' energy: -17.851
flat angles C4'-P-C4' energy: -10.162
flat angles P-C4'-P energy: -9.744
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: 6, replica: 7
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -175.405789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.405789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.405789 (E_RNA)
where:
Base-Base interactions energy: -115.036
where: short stacking energy: -54.408
Base-Backbone interact. energy: -0.105
local terms energy: -60.264396
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -13.453
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -4.914
tors. eta vs tors. theta energy: -12.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -151.883769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.883769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.883769 (E_RNA)
where:
Base-Base interactions energy: -83.991
where: short stacking energy: -40.353
Base-Backbone interact. energy: -0.153
local terms energy: -67.739614
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -11.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -85.596128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.596128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.596128 (E_RNA)
where:
Base-Base interactions energy: -27.672
where: short stacking energy: -26.179
Base-Backbone interact. energy: 0.841
local terms energy: -58.765028
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -3.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -81.329687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.329687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.329687 (E_RNA)
where:
Base-Base interactions energy: -28.262
where: short stacking energy: -25.404
Base-Backbone interact. energy: 0.670
local terms energy: -53.738071
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: 0.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -79.753930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.753930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.753930 (E_RNA)
where:
Base-Base interactions energy: -26.238
where: short stacking energy: -22.585
Base-Backbone interact. energy: -0.215
local terms energy: -53.300329
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -11.029
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: 1.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -253.104655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.104655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.104655 (E_RNA)
where:
Base-Base interactions energy: -170.769
where: short stacking energy: -77.679
Base-Backbone interact. energy: -0.973
local terms energy: -81.363137
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -24.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -217.285686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.285686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.285686 (E_RNA)
where:
Base-Base interactions energy: -139.719
where: short stacking energy: -61.968
Base-Backbone interact. energy: -0.040
local terms energy: -77.526578
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -19.183
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -10.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -221.071069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.071069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.071069 (E_RNA)
where:
Base-Base interactions energy: -154.161
where: short stacking energy: -77.484
Base-Backbone interact. energy: -0.396
local terms energy: -66.513943
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -16.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -182.328693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.328693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.328693 (E_RNA)
where:
Base-Base interactions energy: -104.865
where: short stacking energy: -65.337
Base-Backbone interact. energy: -0.649
local terms energy: -76.813919
where:
bonds (distance) C4'-P energy: -16.849
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -13.650
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: 5, replica: 5
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -217.058024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.058024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.058024 (E_RNA)
where:
Base-Base interactions energy: -148.665
where: short stacking energy: -63.201
Base-Backbone interact. energy: -0.358
local terms energy: -68.035548
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -12.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -170.509832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.509832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.509832 (E_RNA)
where:
Base-Base interactions energy: -110.388
where: short stacking energy: -50.902
Base-Backbone interact. energy: -0.115
local terms energy: -60.006765
where:
bonds (distance) C4'-P energy: -11.109
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -7.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -165.886504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.886504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.886504 (E_RNA)
where:
Base-Base interactions energy: -105.844
where: short stacking energy: -53.215
Base-Backbone interact. energy: -0.642
local terms energy: -59.401152
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -8.529
flat angles C4'-P-C4' energy: -19.245
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -12.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -90.492831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.492831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.492831 (E_RNA)
where:
Base-Base interactions energy: -43.461
where: short stacking energy: -27.565
Base-Backbone interact. energy: -0.129
local terms energy: -46.902686
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -10.613
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -0.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -82.472623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.472623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.472623 (E_RNA)
where:
Base-Base interactions energy: -39.814
where: short stacking energy: -30.176
Base-Backbone interact. energy: 0.416
local terms energy: -43.075107
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -2.209
tors. eta vs tors. theta energy: -0.468
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: 6
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -82.517836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.517836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.517836 (E_RNA)
where:
Base-Base interactions energy: -33.059
where: short stacking energy: -21.799
Base-Backbone interact. energy: -0.369
local terms energy: -49.089911
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -10.663
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: 2.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -247.155703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.155703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.155703 (E_RNA)
where:
Base-Base interactions energy: -160.656
where: short stacking energy: -74.482
Base-Backbone interact. energy: -0.430
local terms energy: -86.069303
where:
bonds (distance) C4'-P energy: -19.287
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -15.045
tors. eta vs tors. theta energy: -21.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -214.555817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.555817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.555817 (E_RNA)
where:
Base-Base interactions energy: -147.235
where: short stacking energy: -67.640
Base-Backbone interact. energy: -0.478
local terms energy: -66.842825
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -18.859
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -9.142
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: 1
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -222.285566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.285566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.285566 (E_RNA)
where:
Base-Base interactions energy: -148.437
where: short stacking energy: -71.792
Base-Backbone interact. energy: -0.749
local terms energy: -73.098875
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -10.576
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: -18.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -199.671993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.671993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.671993 (E_RNA)
where:
Base-Base interactions energy: -129.328
where: short stacking energy: -67.678
Base-Backbone interact. energy: -0.075
local terms energy: -70.269365
where:
bonds (distance) C4'-P energy: -10.995
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -20.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -207.052787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.052787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.052787 (E_RNA)
where:
Base-Base interactions energy: -136.489
where: short stacking energy: -63.233
Base-Backbone interact. energy: -0.720
local terms energy: -69.843751
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -12.002
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -15.337
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: 8
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -182.453489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.453489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.453489 (E_RNA)
where:
Base-Base interactions energy: -111.406
where: short stacking energy: -52.706
Base-Backbone interact. energy: -0.035
local terms energy: -71.011708
where:
bonds (distance) C4'-P energy: -16.630
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -4.888
tors. eta vs tors. theta energy: -16.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -158.816734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.816734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.816734 (E_RNA)
where:
Base-Base interactions energy: -91.767
where: short stacking energy: -44.973
Base-Backbone interact. energy: -0.103
local terms energy: -66.947534
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -11.690
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: 10
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -112.627803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.627803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.627803 (E_RNA)
where:
Base-Base interactions energy: -46.553
where: short stacking energy: -45.387
Base-Backbone interact. energy: -0.825
local terms energy: -65.249704
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -8.144
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: 9, replica: 6
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -86.775511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.775511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.775511 (E_RNA)
where:
Base-Base interactions energy: -40.432
where: short stacking energy: -24.682
Base-Backbone interact. energy: -0.113
local terms energy: -46.231458
where:
bonds (distance) C4'-P energy: -11.182
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -6.144
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -3.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -75.874689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.874689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.874689 (E_RNA)
where:
Base-Base interactions energy: -23.405
where: short stacking energy: -23.401
Base-Backbone interact. energy: -0.535
local terms energy: -51.934610
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -7.946
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: 1, replica: 2
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -244.762126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.762126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.762126 (E_RNA)
where:
Base-Base interactions energy: -161.625
where: short stacking energy: -68.810
Base-Backbone interact. energy: 2.972
local terms energy: -86.108482
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -21.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -233.817159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.817159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.817159 (E_RNA)
where:
Base-Base interactions energy: -150.424
where: short stacking energy: -69.798
Base-Backbone interact. energy: -0.025
local terms energy: -83.367998
where:
bonds (distance) C4'-P energy: -14.887
bonds (distance) P-C4' energy: -18.204
flat angles C4'-P-C4' energy: -19.200
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -20.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -211.993487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.993487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.993487 (E_RNA)
where:
Base-Base interactions energy: -144.645
where: short stacking energy: -55.215
Base-Backbone interact. energy: -0.441
local terms energy: -66.907464
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -19.284
flat angles P-C4'-P energy: -6.244
tors. eta vs tors. theta energy: -9.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -205.912415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.912415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.912415 (E_RNA)
where:
Base-Base interactions energy: -133.101
where: short stacking energy: -62.716
Base-Backbone interact. energy: -0.396
local terms energy: -72.414856
where:
bonds (distance) C4'-P energy: -19.735
bonds (distance) P-C4' energy: -12.766
flat angles C4'-P-C4' energy: -18.616
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -11.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -202.494264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.494264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.494264 (E_RNA)
where:
Base-Base interactions energy: -125.773
where: short stacking energy: -66.548
Base-Backbone interact. energy: -1.264
local terms energy: -75.457020
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -19.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -171.858055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.858055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.858055 (E_RNA)
where:
Base-Base interactions energy: -100.830
where: short stacking energy: -45.350
Base-Backbone interact. energy: -0.732
local terms energy: -70.295557
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -10.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -160.895192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.895192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.895192 (E_RNA)
where:
Base-Base interactions energy: -95.496
where: short stacking energy: -33.873
Base-Backbone interact. energy: -1.556
local terms energy: -63.843595
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -13.152
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -5.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -93.005249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.005249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.005249 (E_RNA)
where:
Base-Base interactions energy: -33.931
where: short stacking energy: -33.653
Base-Backbone interact. energy: 0.628
local terms energy: -59.702245
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -1.490
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: 221
Temperature: 1.300000
Total energy: -77.855453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.855453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.855453 (E_RNA)
where:
Base-Base interactions energy: -39.184
where: short stacking energy: -25.824
Base-Backbone interact. energy: -0.281
local terms energy: -38.389749
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -11.421
flat angles C4'-P-C4' energy: -12.272
flat angles P-C4'-P energy: -2.115
tors. eta vs tors. theta energy: 1.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -80.344202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.344202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.344202 (E_RNA)
where:
Base-Base interactions energy: -33.666
where: short stacking energy: -33.116
Base-Backbone interact. energy: 2.051
local terms energy: -48.728986
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -17.958
flat angles C4'-P-C4' energy: -10.507
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -3.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -251.210825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.210825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.210825 (E_RNA)
where:
Base-Base interactions energy: -166.504
where: short stacking energy: -71.922
Base-Backbone interact. energy: -0.167
local terms energy: -84.539640
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -15.336
tors. eta vs tors. theta energy: -22.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -236.430216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.430216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.430216 (E_RNA)
where:
Base-Base interactions energy: -152.859
where: short stacking energy: -77.988
Base-Backbone interact. energy: -0.031
local terms energy: -83.541030
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -18.559
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: -21.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -211.402535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.402535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.402535 (E_RNA)
where:
Base-Base interactions energy: -152.160
where: short stacking energy: -53.426
Base-Backbone interact. energy: -0.141
local terms energy: -59.101895
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -18.027
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -5.182
tors. eta vs tors. theta energy: -9.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -215.948970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.948970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.948970 (E_RNA)
where:
Base-Base interactions energy: -147.581
where: short stacking energy: -51.542
Base-Backbone interact. energy: -1.244
local terms energy: -67.124030
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -11.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -189.661950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.661950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.661950 (E_RNA)
where:
Base-Base interactions energy: -124.286
where: short stacking energy: -58.113
Base-Backbone interact. energy: -0.056
local terms energy: -65.319367
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -10.455
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: 6, replica: 4
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -167.150408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.150408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.150408 (E_RNA)
where:
Base-Base interactions energy: -109.366
where: short stacking energy: -55.575
Base-Backbone interact. energy: 0.138
local terms energy: -57.922655
where:
bonds (distance) C4'-P energy: -9.641
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -9.520
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -10.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -132.041414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.041414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.041414 (E_RNA)
where:
Base-Base interactions energy: -82.551
where: short stacking energy: -43.448
Base-Backbone interact. energy: -0.394
local terms energy: -49.096194
where:
bonds (distance) C4'-P energy: -7.956
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -5.543
tors. eta vs tors. theta energy: -5.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -101.062174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.062174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.062174 (E_RNA)
where:
Base-Base interactions energy: -52.799
where: short stacking energy: -29.735
Base-Backbone interact. energy: -0.426
local terms energy: -47.836839
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -8.431
flat angles P-C4'-P energy: -6.866
tors. eta vs tors. theta energy: -3.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -90.136836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.136836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.136836 (E_RNA)
where:
Base-Base interactions energy: -33.984
where: short stacking energy: -32.343
Base-Backbone interact. energy: -0.286
local terms energy: -55.866559
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -1.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -87.224603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.224603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.224603 (E_RNA)
where:
Base-Base interactions energy: -33.363
where: short stacking energy: -30.804
Base-Backbone interact. energy: -0.929
local terms energy: -52.932566
where:
bonds (distance) C4'-P energy: -17.333
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -6.220
tors. eta vs tors. theta energy: -1.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -252.913233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.913233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.913233 (E_RNA)
where:
Base-Base interactions energy: -167.269
where: short stacking energy: -71.369
Base-Backbone interact. energy: -2.105
local terms energy: -83.538529
where:
bonds (distance) C4'-P energy: -18.410
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -20.183
flat angles P-C4'-P energy: -10.608
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: 1
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -223.400044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.400044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.400044 (E_RNA)
where:
Base-Base interactions energy: -145.800
where: short stacking energy: -63.070
Base-Backbone interact. energy: -0.301
local terms energy: -77.299306
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -17.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -216.939011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.939011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.939011 (E_RNA)
where:
Base-Base interactions energy: -142.396
where: short stacking energy: -58.154
Base-Backbone interact. energy: 0.229
local terms energy: -74.771965
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: -12.685
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: 4, replica: 5
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -226.758533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.758533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.758533 (E_RNA)
where:
Base-Base interactions energy: -152.155
where: short stacking energy: -52.145
Base-Backbone interact. energy: -0.221
local terms energy: -74.382141
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -14.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -184.807879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.807879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.807879 (E_RNA)
where:
Base-Base interactions energy: -106.181
where: short stacking energy: -53.643
Base-Backbone interact. energy: 0.307
local terms energy: -78.933519
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -18.406
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -14.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -168.037796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.037796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.037796 (E_RNA)
where:
Base-Base interactions energy: -104.180
where: short stacking energy: -55.700
Base-Backbone interact. energy: -1.902
local terms energy: -61.955747
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -10.835
flat angles C4'-P-C4' energy: -7.273
flat angles P-C4'-P energy: -12.728
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: 7, replica: 8
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -129.882974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.882974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.882974 (E_RNA)
where:
Base-Base interactions energy: -68.793
where: short stacking energy: -26.872
Base-Backbone interact. energy: -1.771
local terms energy: -59.318833
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -13.594
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -14.340
tors. eta vs tors. theta energy: -4.392
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: 6
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -102.683218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.683218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.683218 (E_RNA)
where:
Base-Base interactions energy: -49.498
where: short stacking energy: -39.207
Base-Backbone interact. energy: -0.217
local terms energy: -52.968320
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -8.086
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -5.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -95.462274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.462274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.462274 (E_RNA)
where:
Base-Base interactions energy: -44.518
where: short stacking energy: -26.937
Base-Backbone interact. energy: 0.042
local terms energy: -50.986039
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: 1.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -79.299172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.299172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.299172 (E_RNA)
where:
Base-Base interactions energy: -28.420
where: short stacking energy: -24.539
Base-Backbone interact. energy: -0.740
local terms energy: -50.139651
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -8.316
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -3.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -236.213680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.213680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.213680 (E_RNA)
where:
Base-Base interactions energy: -151.264
where: short stacking energy: -67.440
Base-Backbone interact. energy: -0.095
local terms energy: -84.854611
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -19.890
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -19.042
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: 224
Temperature: 0.950000
Total energy: -247.151848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.151848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.151848 (E_RNA)
where:
Base-Base interactions energy: -162.561
where: short stacking energy: -79.790
Base-Backbone interact. energy: -0.454
local terms energy: -84.136738
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -14.094
tors. eta vs tors. theta energy: -24.097
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: 5
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -237.650267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.650267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.650267 (E_RNA)
where:
Base-Base interactions energy: -168.962
where: short stacking energy: -63.558
Base-Backbone interact. energy: -0.221
local terms energy: -68.467191
where:
bonds (distance) C4'-P energy: -10.262
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -14.852
tors. eta vs tors. theta energy: -13.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -203.788582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.788582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.788582 (E_RNA)
where:
Base-Base interactions energy: -138.568
where: short stacking energy: -55.869
Base-Backbone interact. energy: -1.035
local terms energy: -64.185248
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -9.138
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: 5, replica: 7
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -181.310003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.310003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.310003 (E_RNA)
where:
Base-Base interactions energy: -109.944
where: short stacking energy: -60.601
Base-Backbone interact. energy: -0.003
local terms energy: -71.363068
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -14.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -168.806702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.806702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.806702 (E_RNA)
where:
Base-Base interactions energy: -97.434
where: short stacking energy: -56.895
Base-Backbone interact. energy: -0.716
local terms energy: -70.656309
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -5.406
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: 8
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -97.771134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.771134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.771134 (E_RNA)
where:
Base-Base interactions energy: -39.736
where: short stacking energy: -22.674
Base-Backbone interact. energy: -1.375
local terms energy: -56.659982
where:
bonds (distance) C4'-P energy: -16.837
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -9.343
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: 8, replica: 6
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -99.272169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.272169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.272169 (E_RNA)
where:
Base-Base interactions energy: -35.194
where: short stacking energy: -35.194
Base-Backbone interact. energy: -0.176
local terms energy: -63.902263
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -10.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -91.805154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.805154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.805154 (E_RNA)
where:
Base-Base interactions energy: -39.705
where: short stacking energy: -39.337
Base-Backbone interact. energy: -0.042
local terms energy: -52.058434
where:
bonds (distance) C4'-P energy: -8.816
bonds (distance) P-C4' energy: -10.909
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -6.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -91.898592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.898592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.898592 (E_RNA)
where:
Base-Base interactions energy: -35.360
where: short stacking energy: -28.890
Base-Backbone interact. energy: -0.168
local terms energy: -56.370030
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -231.922506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.922506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.922506 (E_RNA)
where:
Base-Base interactions energy: -150.466
where: short stacking energy: -70.712
Base-Backbone interact. energy: -0.313
local terms energy: -81.143124
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -15.053
tors. eta vs tors. theta energy: -15.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -243.398387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.398387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.398387 (E_RNA)
where:
Base-Base interactions energy: -162.101
where: short stacking energy: -77.916
Base-Backbone interact. energy: -0.153
local terms energy: -81.144383
where:
bonds (distance) C4'-P energy: -18.261
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: -18.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -227.919737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.919737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.919737 (E_RNA)
where:
Base-Base interactions energy: -152.185
where: short stacking energy: -58.532
Base-Backbone interact. energy: -0.381
local terms energy: -75.353563
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -18.182
flat angles P-C4'-P energy: -10.061
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: 4, replica: 3
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -199.956783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.956783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.956783 (E_RNA)
where:
Base-Base interactions energy: -139.975
where: short stacking energy: -53.460
Base-Backbone interact. energy: -0.238
local terms energy: -59.744659
where:
bonds (distance) C4'-P energy: -11.456
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -11.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -181.511375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.511375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.511375 (E_RNA)
where:
Base-Base interactions energy: -111.910
where: short stacking energy: -61.597
Base-Backbone interact. energy: -0.092
local terms energy: -69.509166
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -19.452
flat angles P-C4'-P energy: -6.281
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -174.181351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.181351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.181351 (E_RNA)
where:
Base-Base interactions energy: -103.718
where: short stacking energy: -55.044
Base-Backbone interact. energy: -0.039
local terms energy: -70.423523
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -10.381
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: 7, replica: 8
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -103.635250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.635250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.635250 (E_RNA)
where:
Base-Base interactions energy: -36.406
where: short stacking energy: -36.406
Base-Backbone interact. energy: -0.168
local terms energy: -67.061275
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -8.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -91.791637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.791637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.791637 (E_RNA)
where:
Base-Base interactions energy: -27.938
where: short stacking energy: -22.402
Base-Backbone interact. energy: -0.893
local terms energy: -62.960085
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -17.514
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -1.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -82.070592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.070592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.070592 (E_RNA)
where:
Base-Base interactions energy: -26.834
where: short stacking energy: -26.796
Base-Backbone interact. energy: 0.320
local terms energy: -55.556816
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -9.842
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: 10, replica: 10
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -89.219957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.219957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.219957 (E_RNA)
where:
Base-Base interactions energy: -37.305
where: short stacking energy: -29.345
Base-Backbone interact. energy: 0.255
local terms energy: -52.170336
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -6.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -234.058030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.058030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.058030 (E_RNA)
where:
Base-Base interactions energy: -157.215
where: short stacking energy: -72.546
Base-Backbone interact. energy: -0.403
local terms energy: -76.439177
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -18.443
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: 2, replica: 1
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -222.944953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.944953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.944953 (E_RNA)
where:
Base-Base interactions energy: -144.809
where: short stacking energy: -68.540
Base-Backbone interact. energy: -0.009
local terms energy: -78.127554
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -20.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -193.117760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.117760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.117760 (E_RNA)
where:
Base-Base interactions energy: -128.066
where: short stacking energy: -49.580
Base-Backbone interact. energy: -0.058
local terms energy: -64.993726
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -9.594
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: 226
Temperature: 1.050000
Total energy: -233.124824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.124824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.124824 (E_RNA)
where:
Base-Base interactions energy: -170.492
where: short stacking energy: -58.852
Base-Backbone interact. energy: -1.185
local terms energy: -61.448068
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -8.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -205.635112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.635112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.635112 (E_RNA)
where:
Base-Base interactions energy: -132.874
where: short stacking energy: -65.153
Base-Backbone interact. energy: -0.503
local terms energy: -72.258254
where:
bonds (distance) C4'-P energy: -9.103
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -19.817
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: 7
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -165.766679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.766679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.766679 (E_RNA)
where:
Base-Base interactions energy: -98.453
where: short stacking energy: -52.901
Base-Backbone interact. energy: 0.348
local terms energy: -67.661196
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -9.863
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -16.532
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: 6
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -92.044912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.044912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.044912 (E_RNA)
where:
Base-Base interactions energy: -37.402
where: short stacking energy: -29.592
Base-Backbone interact. energy: 0.073
local terms energy: -54.715825
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -10.659
flat angles P-C4'-P energy: -9.226
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: 8, replica: 8
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -89.292261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.292261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.292261 (E_RNA)
where:
Base-Base interactions energy: -37.896
where: short stacking energy: -24.650
Base-Backbone interact. energy: -0.009
local terms energy: -51.387782
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -11.286
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -3.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -94.222129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.222129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.222129 (E_RNA)
where:
Base-Base interactions energy: -36.095
where: short stacking energy: -26.572
Base-Backbone interact. energy: -0.005
local terms energy: -58.122417
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -18.262
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -5.813
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: 10, replica: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -77.545471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.545471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.545471 (E_RNA)
where:
Base-Base interactions energy: -21.942
where: short stacking energy: -20.660
Base-Backbone interact. energy: -0.063
local terms energy: -55.540562
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -7.889
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: 1, replica: 2
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -238.578885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.578885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.578885 (E_RNA)
where:
Base-Base interactions energy: -161.931
where: short stacking energy: -68.448
Base-Backbone interact. energy: 0.425
local terms energy: -77.072247
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -17.118
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -12.765
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: 2, replica: 3
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -218.469890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.469890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.469890 (E_RNA)
where:
Base-Base interactions energy: -141.269
where: short stacking energy: -60.854
Base-Backbone interact. energy: -0.229
local terms energy: -76.971610
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -13.974
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: 3, replica: 1
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -224.379304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.379304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.379304 (E_RNA)
where:
Base-Base interactions energy: -148.801
where: short stacking energy: -76.956
Base-Backbone interact. energy: 1.236
local terms energy: -76.814396
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -18.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -211.243418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.243418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.243418 (E_RNA)
where:
Base-Base interactions energy: -131.754
where: short stacking energy: -61.754
Base-Backbone interact. energy: -0.753
local terms energy: -78.736239
where:
bonds (distance) C4'-P energy: -15.201
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -11.095
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: 5, replica: 5
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -208.294658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.294658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.294658 (E_RNA)
where:
Base-Base interactions energy: -143.731
where: short stacking energy: -57.628
Base-Backbone interact. energy: -0.587
local terms energy: -63.976781
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -6.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -116.275429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.275429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.275429 (E_RNA)
where:
Base-Base interactions energy: -43.108
where: short stacking energy: -43.108
Base-Backbone interact. energy: -0.039
local terms energy: -73.129271
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -12.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -157.455729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.455729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.455729 (E_RNA)
where:
Base-Base interactions energy: -102.183
where: short stacking energy: -52.883
Base-Backbone interact. energy: -0.099
local terms energy: -55.172883
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -4.478
tors. eta vs tors. theta energy: -6.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -100.369566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.369566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.369566 (E_RNA)
where:
Base-Base interactions energy: -51.362
where: short stacking energy: -38.080
Base-Backbone interact. energy: -2.751
local terms energy: -46.255993
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -6.159
tors. eta vs tors. theta energy: -2.693
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: 8
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -87.080043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.080043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.080043 (E_RNA)
where:
Base-Base interactions energy: -30.452
where: short stacking energy: -29.536
Base-Backbone interact. energy: -0.821
local terms energy: -55.807571
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -1.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -92.293154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.293154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.293154 (E_RNA)
where:
Base-Base interactions energy: -30.855
where: short stacking energy: -29.391
Base-Backbone interact. energy: -0.110
local terms energy: -61.327706
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -10.922
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -5.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -248.424468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.424468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.424468 (E_RNA)
where:
Base-Base interactions energy: -166.246
where: short stacking energy: -67.671
Base-Backbone interact. energy: -0.490
local terms energy: -81.688848
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -16.127
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -13.597
tors. eta vs tors. theta energy: -20.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -224.547202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.547202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.547202 (E_RNA)
where:
Base-Base interactions energy: -145.622
where: short stacking energy: -67.173
Base-Backbone interact. energy: -0.391
local terms energy: -78.533939
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -11.372
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: 3, replica: 4
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -207.542815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.542815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.542815 (E_RNA)
where:
Base-Base interactions energy: -129.998
where: short stacking energy: -64.977
Base-Backbone interact. energy: -0.128
local terms energy: -77.416659
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -19.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -206.837904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.837904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.837904 (E_RNA)
where:
Base-Base interactions energy: -128.122
where: short stacking energy: -67.625
Base-Backbone interact. energy: -0.434
local terms energy: -78.282263
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -9.727
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: 5, replica: 5
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -196.569517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.569517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.569517 (E_RNA)
where:
Base-Base interactions energy: -140.283
where: short stacking energy: -51.839
Base-Backbone interact. energy: -0.439
local terms energy: -55.847630
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -3.006
tors. eta vs tors. theta energy: -6.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -101.862414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.862414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.862414 (E_RNA)
where:
Base-Base interactions energy: -38.132
where: short stacking energy: -36.333
Base-Backbone interact. energy: -0.174
local terms energy: -63.556345
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -10.857
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -7.804
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: 7
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -141.392962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.392962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.392962 (E_RNA)
where:
Base-Base interactions energy: -72.626
where: short stacking energy: -36.439
Base-Backbone interact. energy: -0.220
local terms energy: -68.546831
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -16.735
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -10.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -96.201237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.201237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.201237 (E_RNA)
where:
Base-Base interactions energy: -37.090
where: short stacking energy: -37.090
Base-Backbone interact. energy: -0.100
local terms energy: -59.011290
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -4.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -97.528359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.528359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.528359 (E_RNA)
where:
Base-Base interactions energy: -39.777
where: short stacking energy: -33.239
Base-Backbone interact. energy: -0.216
local terms energy: -57.536154
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -7.868
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: 10, replica: 8
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -88.103731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.103731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.103731 (E_RNA)
where:
Base-Base interactions energy: -24.120
where: short stacking energy: -24.097
Base-Backbone interact. energy: -0.207
local terms energy: -63.776988
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -7.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -245.035343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.035343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.035343 (E_RNA)
where:
Base-Base interactions energy: -160.199
where: short stacking energy: -73.034
Base-Backbone interact. energy: -0.440
local terms energy: -84.396142
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -18.276
flat angles P-C4'-P energy: -14.600
tors. eta vs tors. theta energy: -21.279
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: 2, replica: 3
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -237.200383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.200383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.200383 (E_RNA)
where:
Base-Base interactions energy: -169.004
where: short stacking energy: -70.036
Base-Backbone interact. energy: -0.350
local terms energy: -67.846110
where:
bonds (distance) C4'-P energy: -14.552
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -14.137
tors. eta vs tors. theta energy: -11.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -220.266168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.266168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.266168 (E_RNA)
where:
Base-Base interactions energy: -136.753
where: short stacking energy: -80.906
Base-Backbone interact. energy: -0.004
local terms energy: -83.509385
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -16.674
flat angles C4'-P-C4' energy: -18.808
flat angles P-C4'-P energy: -9.570
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: 4, replica: 1
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -219.084545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.084545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.084545 (E_RNA)
where:
Base-Base interactions energy: -143.238
where: short stacking energy: -69.021
Base-Backbone interact. energy: 0.476
local terms energy: -76.322663
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -15.564
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: 5
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -211.028578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.028578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.028578 (E_RNA)
where:
Base-Base interactions energy: -135.092
where: short stacking energy: -64.821
Base-Backbone interact. energy: 0.255
local terms energy: -76.192434
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -16.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -150.089308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.089308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.089308 (E_RNA)
where:
Base-Base interactions energy: -83.652
where: short stacking energy: -53.084
Base-Backbone interact. energy: -0.187
local terms energy: -66.250276
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -11.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -100.888346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.888346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.888346 (E_RNA)
where:
Base-Base interactions energy: -37.731
where: short stacking energy: -33.587
Base-Backbone interact. energy: -0.212
local terms energy: -62.945267
where:
bonds (distance) C4'-P energy: -19.002
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -7.531
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: 8, replica: 9
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -93.265650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.265650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.265650 (E_RNA)
where:
Base-Base interactions energy: -37.771
where: short stacking energy: -32.789
Base-Backbone interact. energy: -0.153
local terms energy: -55.341281
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -5.559
tors. eta vs tors. theta energy: -5.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -87.776996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.776996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.776996 (E_RNA)
where:
Base-Base interactions energy: -29.727
where: short stacking energy: -29.727
Base-Backbone interact. energy: -0.124
local terms energy: -57.925611
where:
bonds (distance) C4'-P energy: -9.783
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -6.440
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: 229
Temperature: 1.350000
Total energy: -84.517014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.517014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.517014 (E_RNA)
where:
Base-Base interactions energy: -35.455
where: short stacking energy: -34.815
Base-Backbone interact. energy: -0.783
local terms energy: -48.279260
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -7.297
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: 1, replica: 3
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -241.835712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.835712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.835712 (E_RNA)
where:
Base-Base interactions energy: -162.028
where: short stacking energy: -75.596
Base-Backbone interact. energy: 0.652
local terms energy: -80.459460
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -18.018
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -18.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -243.257145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.257145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.257145 (E_RNA)
where:
Base-Base interactions energy: -157.402
where: short stacking energy: -76.905
Base-Backbone interact. energy: -0.541
local terms energy: -85.314031
where:
bonds (distance) C4'-P energy: -17.979
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -22.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -223.734123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.734123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.734123 (E_RNA)
where:
Base-Base interactions energy: -150.112
where: short stacking energy: -74.906
Base-Backbone interact. energy: -0.020
local terms energy: -73.602203
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -5.615
tors. eta vs tors. theta energy: -20.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -206.167794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.167794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.167794 (E_RNA)
where:
Base-Base interactions energy: -127.641
where: short stacking energy: -69.816
Base-Backbone interact. energy: -0.316
local terms energy: -78.210261
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -22.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -225.316954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.316954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.316954 (E_RNA)
where:
Base-Base interactions energy: -149.708
where: short stacking energy: -61.628
Base-Backbone interact. energy: -1.333
local terms energy: -74.275608
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -14.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -111.340777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.340777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.340777 (E_RNA)
where:
Base-Base interactions energy: -43.524
where: short stacking energy: -42.644
Base-Backbone interact. energy: -0.178
local terms energy: -67.638764
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -9.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -116.935146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.935146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.935146 (E_RNA)
where:
Base-Base interactions energy: -50.993
where: short stacking energy: -47.739
Base-Backbone interact. energy: -0.090
local terms energy: -65.852399
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -7.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -94.906426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.906426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.906426 (E_RNA)
where:
Base-Base interactions energy: -39.197
where: short stacking energy: -35.429
Base-Backbone interact. energy: 1.192
local terms energy: -56.901483
where:
bonds (distance) C4'-P energy: -9.583
bonds (distance) P-C4' energy: -17.349
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -6.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -82.258971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.258971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.258971 (E_RNA)
where:
Base-Base interactions energy: -35.820
where: short stacking energy: -29.975
Base-Backbone interact. energy: -0.588
local terms energy: -45.850694
where:
bonds (distance) C4'-P energy: -6.317
bonds (distance) P-C4' energy: -17.145
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -0.542
tors. eta vs tors. theta energy: -8.931
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: 10
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -79.743079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.743079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.743079 (E_RNA)
where:
Base-Base interactions energy: -25.758
where: short stacking energy: -25.758
Base-Backbone interact. energy: 0.316
local terms energy: -54.300731
where:
bonds (distance) C4'-P energy: -16.163
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: 2.598
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: 3
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -245.258079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.258079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.258079 (E_RNA)
where:
Base-Base interactions energy: -169.572
where: short stacking energy: -66.364
Base-Backbone interact. energy: 0.558
local terms energy: -76.243358
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -16.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -242.251375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.251375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.251375 (E_RNA)
where:
Base-Base interactions energy: -165.428
where: short stacking energy: -75.070
Base-Backbone interact. energy: -0.729
local terms energy: -76.093937
where:
bonds (distance) C4'-P energy: -9.522
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: -21.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -224.341771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.341771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.341771 (E_RNA)
where:
Base-Base interactions energy: -151.725
where: short stacking energy: -77.081
Base-Backbone interact. energy: -0.049
local terms energy: -72.568573
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -17.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -231.465132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.465132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.465132 (E_RNA)
where:
Base-Base interactions energy: -152.423
where: short stacking energy: -67.773
Base-Backbone interact. energy: -0.822
local terms energy: -78.219976
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -16.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -193.588152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.588152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.588152 (E_RNA)
where:
Base-Base interactions energy: -116.278
where: short stacking energy: -45.269
Base-Backbone interact. energy: -0.648
local terms energy: -76.661461
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -16.772
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: 231
Temperature: 1.150000
Total energy: -114.877904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.877904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.877904 (E_RNA)
where:
Base-Base interactions energy: -55.059
where: short stacking energy: -40.451
Base-Backbone interact. energy: -0.046
local terms energy: -59.772856
where:
bonds (distance) C4'-P energy: -8.235
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -14.378
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: 7, replica: 9
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -93.209428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.209428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.209428 (E_RNA)
where:
Base-Base interactions energy: -36.695
where: short stacking energy: -35.130
Base-Backbone interact. energy: -0.134
local terms energy: -56.380449
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -5.467
tors. eta vs tors. theta energy: -7.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -91.806626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.806626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.806626 (E_RNA)
where:
Base-Base interactions energy: -27.559
where: short stacking energy: -27.559
Base-Backbone interact. energy: -0.151
local terms energy: -64.096856
where:
bonds (distance) C4'-P energy: -16.265
bonds (distance) P-C4' energy: -17.296
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: -0.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -80.319123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.319123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.319123 (E_RNA)
where:
Base-Base interactions energy: -42.040
where: short stacking energy: -28.159
Base-Backbone interact. energy: -1.371
local terms energy: -36.908656
where:
bonds (distance) C4'-P energy: -7.799
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -9.150
flat angles P-C4'-P energy: -2.548
tors. eta vs tors. theta energy: 0.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -86.522452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.522452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.522452 (E_RNA)
where:
Base-Base interactions energy: -32.452
where: short stacking energy: -28.564
Base-Backbone interact. energy: -0.218
local terms energy: -53.852493
where:
bonds (distance) C4'-P energy: -12.618
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -4.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -248.433164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.433164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.433164 (E_RNA)
where:
Base-Base interactions energy: -164.114
where: short stacking energy: -75.772
Base-Backbone interact. energy: 0.116
local terms energy: -84.434748
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -16.082
tors. eta vs tors. theta energy: -22.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -235.000297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.000297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.000297 (E_RNA)
where:
Base-Base interactions energy: -155.107
where: short stacking energy: -65.528
Base-Backbone interact. energy: -0.323
local terms energy: -79.570899
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -17.915
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -19.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -233.545454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.545454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.545454 (E_RNA)
where:
Base-Base interactions energy: -165.261
where: short stacking energy: -70.222
Base-Backbone interact. energy: 0.702
local terms energy: -68.986515
where:
bonds (distance) C4'-P energy: -10.200
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -15.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -222.326942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.326942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.326942 (E_RNA)
where:
Base-Base interactions energy: -148.897
where: short stacking energy: -63.752
Base-Backbone interact. energy: -0.173
local terms energy: -73.257356
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -17.381
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: 4
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -212.103559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.103559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.103559 (E_RNA)
where:
Base-Base interactions energy: -132.735
where: short stacking energy: -74.092
Base-Backbone interact. energy: -0.341
local terms energy: -79.028132
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -21.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -111.242312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.242312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.242312 (E_RNA)
where:
Base-Base interactions energy: -54.457
where: short stacking energy: -40.792
Base-Backbone interact. energy: 0.382
local terms energy: -57.167502
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -2.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -108.518689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.518689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.518689 (E_RNA)
where:
Base-Base interactions energy: -48.782
where: short stacking energy: -48.782
Base-Backbone interact. energy: -0.124
local terms energy: -59.612933
where:
bonds (distance) C4'-P energy: -5.729
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -11.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -108.833522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.833522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.833522 (E_RNA)
where:
Base-Base interactions energy: -46.345
where: short stacking energy: -46.345
Base-Backbone interact. energy: -0.008
local terms energy: -62.480391
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -9.315
flat angles P-C4'-P energy: -10.781
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: 9, replica: 10
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -95.125405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.125405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.125405 (E_RNA)
where:
Base-Base interactions energy: -40.555
where: short stacking energy: -28.111
Base-Backbone interact. energy: 1.523
local terms energy: -56.094012
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -16.602
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -92.361143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.361143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.361143 (E_RNA)
where:
Base-Base interactions energy: -42.143
where: short stacking energy: -22.076
Base-Backbone interact. energy: -0.320
local terms energy: -49.898137
where:
bonds (distance) C4'-P energy: -10.280
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: -2.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -244.625602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.625602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.625602 (E_RNA)
where:
Base-Base interactions energy: -165.235
where: short stacking energy: -79.068
Base-Backbone interact. energy: -1.067
local terms energy: -78.323878
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -21.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -222.468712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.468712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.468712 (E_RNA)
where:
Base-Base interactions energy: -149.424
where: short stacking energy: -64.847
Base-Backbone interact. energy: -0.425
local terms energy: -72.619512
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -16.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -232.352511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.352511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.352511 (E_RNA)
where:
Base-Base interactions energy: -152.991
where: short stacking energy: -66.427
Base-Backbone interact. energy: -0.311
local terms energy: -79.050530
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -14.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -209.793739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.793739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.793739 (E_RNA)
where:
Base-Base interactions energy: -130.944
where: short stacking energy: -69.632
Base-Backbone interact. energy: 0.130
local terms energy: -78.980051
where:
bonds (distance) C4'-P energy: -15.963
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -18.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -200.245360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.245360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.245360 (E_RNA)
where:
Base-Base interactions energy: -123.798
where: short stacking energy: -56.048
Base-Backbone interact. energy: -0.314
local terms energy: -76.133838
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -18.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -105.897402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.897402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.897402 (E_RNA)
where:
Base-Base interactions energy: -48.478
where: short stacking energy: -46.255
Base-Backbone interact. energy: -0.668
local terms energy: -56.751397
where:
bonds (distance) C4'-P energy: -7.458
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -5.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -100.186736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.186736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.186736 (E_RNA)
where:
Base-Base interactions energy: -37.293
where: short stacking energy: -32.708
Base-Backbone interact. energy: -0.106
local terms energy: -62.788186
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -5.599
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: 233
Temperature: 1.250000
Total energy: -106.149358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.149358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.149358 (E_RNA)
where:
Base-Base interactions energy: -44.987
where: short stacking energy: -32.783
Base-Backbone interact. energy: -0.162
local terms energy: -61.000363
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -14.319
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -9.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -79.811406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.811406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.811406 (E_RNA)
where:
Base-Base interactions energy: -25.486
where: short stacking energy: -21.730
Base-Backbone interact. energy: 0.113
local terms energy: -54.438629
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: 1.238
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: 10, replica: 8
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -93.541581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.541581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.541581 (E_RNA)
where:
Base-Base interactions energy: -33.815
where: short stacking energy: -31.906
Base-Backbone interact. energy: -0.162
local terms energy: -59.564150
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -18.718
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -6.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -244.884105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.884105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.884105 (E_RNA)
where:
Base-Base interactions energy: -170.110
where: short stacking energy: -72.530
Base-Backbone interact. energy: -0.318
local terms energy: -74.456776
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -13.841
tors. eta vs tors. theta energy: -18.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -230.684510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.684510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.684510 (E_RNA)
where:
Base-Base interactions energy: -156.614
where: short stacking energy: -67.093
Base-Backbone interact. energy: -0.497
local terms energy: -73.573473
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -18.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -217.840722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.840722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.840722 (E_RNA)
where:
Base-Base interactions energy: -145.323
where: short stacking energy: -78.248
Base-Backbone interact. energy: -0.044
local terms energy: -72.473347
where:
bonds (distance) C4'-P energy: -17.148
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -4.441
tors. eta vs tors. theta energy: -20.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -226.958821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.958821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.958821 (E_RNA)
where:
Base-Base interactions energy: -154.236
where: short stacking energy: -61.228
Base-Backbone interact. energy: -0.573
local terms energy: -72.150169
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -11.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -196.287350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.287350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.287350 (E_RNA)
where:
Base-Base interactions energy: -119.503
where: short stacking energy: -56.842
Base-Backbone interact. energy: -0.183
local terms energy: -76.601824
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -18.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -124.293182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.293182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.293182 (E_RNA)
where:
Base-Base interactions energy: -60.574
where: short stacking energy: -41.581
Base-Backbone interact. energy: -0.043
local terms energy: -63.675932
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -12.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -97.070202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.070202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.070202 (E_RNA)
where:
Base-Base interactions energy: -37.593
where: short stacking energy: -31.251
Base-Backbone interact. energy: 0.983
local terms energy: -60.460349
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -6.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -90.679362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.679362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.679362 (E_RNA)
where:
Base-Base interactions energy: -32.305
where: short stacking energy: -27.507
Base-Backbone interact. energy: -0.161
local terms energy: -58.213153
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -2.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -91.660100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.660100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.660100 (E_RNA)
where:
Base-Base interactions energy: -43.171
where: short stacking energy: -36.373
Base-Backbone interact. energy: -0.125
local terms energy: -48.363621
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -10.794
flat angles P-C4'-P energy: -6.029
tors. eta vs tors. theta energy: -4.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -82.456092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.456092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.456092 (E_RNA)
where:
Base-Base interactions energy: -29.306
where: short stacking energy: -29.306
Base-Backbone interact. energy: -0.109
local terms energy: -53.041169
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -7.782
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: 2
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -247.432708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.432708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.432708 (E_RNA)
where:
Base-Base interactions energy: -167.660
where: short stacking energy: -72.002
Base-Backbone interact. energy: 0.750
local terms energy: -80.523644
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -20.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -236.032609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.032609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.032609 (E_RNA)
where:
Base-Base interactions energy: -159.664
where: short stacking energy: -71.460
Base-Backbone interact. energy: 0.234
local terms energy: -76.603316
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -15.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -218.517146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.517146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.517146 (E_RNA)
where:
Base-Base interactions energy: -138.694
where: short stacking energy: -72.689
Base-Backbone interact. energy: -0.115
local terms energy: -79.708263
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -19.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -230.913188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.913188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.913188 (E_RNA)
where:
Base-Base interactions energy: -154.771
where: short stacking energy: -62.647
Base-Backbone interact. energy: -0.542
local terms energy: -75.599935
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -15.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -199.296649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.296649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.296649 (E_RNA)
where:
Base-Base interactions energy: -134.182
where: short stacking energy: -75.359
Base-Backbone interact. energy: -0.518
local terms energy: -64.596100
where:
bonds (distance) C4'-P energy: -6.520
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -21.784
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: 7
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -110.419110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.419110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.419110 (E_RNA)
where:
Base-Base interactions energy: -59.814
where: short stacking energy: -43.986
Base-Backbone interact. energy: -0.217
local terms energy: -50.387175
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: -3.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -111.134400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.134400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.134400 (E_RNA)
where:
Base-Base interactions energy: -49.681
where: short stacking energy: -45.819
Base-Backbone interact. energy: -0.036
local terms energy: -61.416612
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -9.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -105.211201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.211201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.211201 (E_RNA)
where:
Base-Base interactions energy: -52.524
where: short stacking energy: -32.861
Base-Backbone interact. energy: -0.334
local terms energy: -52.353052
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -10.445
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -9.922
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: 9, replica: 10
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -84.207469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.207469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.207469 (E_RNA)
where:
Base-Base interactions energy: -38.353
where: short stacking energy: -25.075
Base-Backbone interact. energy: 0.456
local terms energy: -46.310868
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -8.173
flat angles P-C4'-P energy: -5.119
tors. eta vs tors. theta energy: -3.567
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: 9
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -88.099977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.099977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.099977 (E_RNA)
where:
Base-Base interactions energy: -26.927
where: short stacking energy: -25.085
Base-Backbone interact. energy: 1.189
local terms energy: -62.361090
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -6.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -240.827542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.827542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.827542 (E_RNA)
where:
Base-Base interactions energy: -163.501
where: short stacking energy: -71.442
Base-Backbone interact. energy: -0.849
local terms energy: -76.478234
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -12.289
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: 2, replica: 2
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -250.942247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.942247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.942247 (E_RNA)
where:
Base-Base interactions energy: -169.761
where: short stacking energy: -74.596
Base-Backbone interact. energy: -0.615
local terms energy: -80.566007
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -17.878
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -22.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -235.918237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.918237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.918237 (E_RNA)
where:
Base-Base interactions energy: -164.224
where: short stacking energy: -74.557
Base-Backbone interact. energy: -0.104
local terms energy: -71.590035
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -17.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -198.515486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.515486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.515486 (E_RNA)
where:
Base-Base interactions energy: -124.345
where: short stacking energy: -61.373
Base-Backbone interact. energy: -0.018
local terms energy: -74.152723
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -11.889
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: 5, replica: 1
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -197.627325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.627325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.627325 (E_RNA)
where:
Base-Base interactions energy: -124.741
where: short stacking energy: -50.760
Base-Backbone interact. energy: 1.455
local terms energy: -74.341883
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -14.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -119.160960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.160960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.160960 (E_RNA)
where:
Base-Base interactions energy: -57.106
where: short stacking energy: -38.483
Base-Backbone interact. energy: 0.408
local terms energy: -62.463031
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -6.705
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: 8
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -92.740675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.740675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.740675 (E_RNA)
where:
Base-Base interactions energy: -41.068
where: short stacking energy: -33.504
Base-Backbone interact. energy: -0.269
local terms energy: -51.404286
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -6.272
tors. eta vs tors. theta energy: -2.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -91.769281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.769281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.769281 (E_RNA)
where:
Base-Base interactions energy: -37.100
where: short stacking energy: -23.301
Base-Backbone interact. energy: -0.249
local terms energy: -54.419897
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -5.164
tors. eta vs tors. theta energy: -4.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -87.256759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.256759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.256759 (E_RNA)
where:
Base-Base interactions energy: -30.459
where: short stacking energy: -29.612
Base-Backbone interact. energy: -0.025
local terms energy: -56.772604
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -5.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -82.655303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.655303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.655303 (E_RNA)
where:
Base-Base interactions energy: -24.600
where: short stacking energy: -17.849
Base-Backbone interact. energy: -0.266
local terms energy: -57.789683
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -10.470
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -0.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -250.087804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.087804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.087804 (E_RNA)
where:
Base-Base interactions energy: -162.735
where: short stacking energy: -68.843
Base-Backbone interact. energy: -0.336
local terms energy: -87.016776
where:
bonds (distance) C4'-P energy: -19.155
bonds (distance) P-C4' energy: -17.103
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: -17.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -241.206442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.206442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.206442 (E_RNA)
where:
Base-Base interactions energy: -159.740
where: short stacking energy: -83.629
Base-Backbone interact. energy: -0.181
local terms energy: -81.285335
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -12.886
flat angles C4'-P-C4' energy: -18.945
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -22.490
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: 3, replica: 3
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -233.423460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.423460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.423460 (E_RNA)
where:
Base-Base interactions energy: -160.022
where: short stacking energy: -69.253
Base-Backbone interact. energy: -0.055
local terms energy: -73.346265
where:
bonds (distance) C4'-P energy: -15.798
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -18.688
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -15.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -213.849295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.849295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.849295 (E_RNA)
where:
Base-Base interactions energy: -139.608
where: short stacking energy: -57.722
Base-Backbone interact. energy: 0.421
local terms energy: -74.662766
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -16.652
flat angles C4'-P-C4' energy: -17.916
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -14.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -217.653780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.653780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.653780 (E_RNA)
where:
Base-Base interactions energy: -131.692
where: short stacking energy: -75.286
Base-Backbone interact. energy: -0.985
local terms energy: -84.977027
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -24.615
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: 6, replica: 8
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -92.973531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.973531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.973531 (E_RNA)
where:
Base-Base interactions energy: -33.615
where: short stacking energy: -32.449
Base-Backbone interact. energy: 0.690
local terms energy: -60.048335
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -14.209
tors. eta vs tors. theta energy: -1.053
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: 7
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -107.715721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.715721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.715721 (E_RNA)
where:
Base-Base interactions energy: -41.641
where: short stacking energy: -38.218
Base-Backbone interact. energy: -0.039
local terms energy: -66.036054
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -10.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -97.840161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.840161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.840161 (E_RNA)
where:
Base-Base interactions energy: -34.960
where: short stacking energy: -34.264
Base-Backbone interact. energy: 0.207
local terms energy: -63.087584
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -7.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -92.036383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.036383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.036383 (E_RNA)
where:
Base-Base interactions energy: -31.537
where: short stacking energy: -31.537
Base-Backbone interact. energy: -0.189
local terms energy: -60.310347
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -3.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -86.654872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.654872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.654872 (E_RNA)
where:
Base-Base interactions energy: -45.912
where: short stacking energy: -27.124
Base-Backbone interact. energy: 0.034
local terms energy: -40.776673
where:
bonds (distance) C4'-P energy: -11.020
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -1.936
tors. eta vs tors. theta energy: -1.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -246.147713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.147713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.147713 (E_RNA)
where:
Base-Base interactions energy: -163.468
where: short stacking energy: -77.733
Base-Backbone interact. energy: -0.613
local terms energy: -82.066443
where:
bonds (distance) C4'-P energy: -17.906
bonds (distance) P-C4' energy: -17.416
flat angles C4'-P-C4' energy: -18.439
flat angles P-C4'-P energy: -9.660
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: 5
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -241.087073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.087073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.087073 (E_RNA)
where:
Base-Base interactions energy: -166.427
where: short stacking energy: -69.949
Base-Backbone interact. energy: 0.168
local terms energy: -74.828612
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -16.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -207.239344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.239344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.239344 (E_RNA)
where:
Base-Base interactions energy: -132.813
where: short stacking energy: -70.465
Base-Backbone interact. energy: -0.176
local terms energy: -74.250105
where:
bonds (distance) C4'-P energy: -16.287
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: -18.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -230.084614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.084614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.084614 (E_RNA)
where:
Base-Base interactions energy: -147.977
where: short stacking energy: -65.018
Base-Backbone interact. energy: 0.423
local terms energy: -82.530068
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -19.604
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -15.990
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: 5, replica: 4
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -191.591111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.591111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.591111 (E_RNA)
where:
Base-Base interactions energy: -117.875
where: short stacking energy: -56.534
Base-Backbone interact. energy: -0.367
local terms energy: -73.349544
where:
bonds (distance) C4'-P energy: -16.829
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -14.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -106.880329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.880329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.880329 (E_RNA)
where:
Base-Base interactions energy: -43.031
where: short stacking energy: -37.212
Base-Backbone interact. energy: -0.270
local terms energy: -63.579082
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -10.859
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: 9
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -100.215149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.215149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.215149 (E_RNA)
where:
Base-Base interactions energy: -39.487
where: short stacking energy: -29.423
Base-Backbone interact. energy: -0.045
local terms energy: -60.683590
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -6.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -95.699968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.699968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.699968 (E_RNA)
where:
Base-Base interactions energy: -38.275
where: short stacking energy: -33.737
Base-Backbone interact. energy: -0.084
local terms energy: -57.341355
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -4.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -91.744470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.744470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.744470 (E_RNA)
where:
Base-Base interactions energy: -40.491
where: short stacking energy: -30.821
Base-Backbone interact. energy: -0.587
local terms energy: -50.666297
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -5.408
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -6.684
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: 6
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -83.024777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.024777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.024777 (E_RNA)
where:
Base-Base interactions energy: -24.688
where: short stacking energy: -23.824
Base-Backbone interact. energy: 0.719
local terms energy: -59.055807
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: 0.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -244.870820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.870820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.870820 (E_RNA)
where:
Base-Base interactions energy: -159.153
where: short stacking energy: -74.795
Base-Backbone interact. energy: -0.371
local terms energy: -85.347150
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -19.814
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: 5
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -228.680552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.680552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.680552 (E_RNA)
where:
Base-Base interactions energy: -149.489
where: short stacking energy: -56.494
Base-Backbone interact. energy: -0.519
local terms energy: -78.672704
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -18.130
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -16.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -217.627126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.627126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.627126 (E_RNA)
where:
Base-Base interactions energy: -135.481
where: short stacking energy: -74.705
Base-Backbone interact. energy: -0.019
local terms energy: -82.127513
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -17.988
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -14.408
tors. eta vs tors. theta energy: -20.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -220.783052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.783052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.783052 (E_RNA)
where:
Base-Base interactions energy: -151.416
where: short stacking energy: -67.188
Base-Backbone interact. energy: 2.306
local terms energy: -71.672883
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -13.649
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -18.329
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: 4
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -197.082019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.082019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.082019 (E_RNA)
where:
Base-Base interactions energy: -116.748
where: short stacking energy: -52.846
Base-Backbone interact. energy: -0.753
local terms energy: -79.580724
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -18.649
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -15.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -103.427641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.427641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.427641 (E_RNA)
where:
Base-Base interactions energy: -40.909
where: short stacking energy: -40.909
Base-Backbone interact. energy: 0.171
local terms energy: -62.689979
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -19.532
flat angles C4'-P-C4' energy: -10.476
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -10.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -109.767968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.767968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.767968 (E_RNA)
where:
Base-Base interactions energy: -43.387
where: short stacking energy: -43.387
Base-Backbone interact. energy: -0.399
local terms energy: -65.982076
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -6.349
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: 10
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -101.806399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.806399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.806399 (E_RNA)
where:
Base-Base interactions energy: -47.335
where: short stacking energy: -47.335
Base-Backbone interact. energy: -0.082
local terms energy: -54.389278
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -4.075
tors. eta vs tors. theta energy: -8.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -105.733210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.733210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.733210 (E_RNA)
where:
Base-Base interactions energy: -44.321
where: short stacking energy: -30.064
Base-Backbone interact. energy: -2.157
local terms energy: -59.254640
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -10.374
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -4.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -104.751677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.751677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.751677 (E_RNA)
where:
Base-Base interactions energy: -51.131
where: short stacking energy: -45.850
Base-Backbone interact. energy: -0.359
local terms energy: -53.261699
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -3.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -242.088554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.088554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.088554 (E_RNA)
where:
Base-Base interactions energy: -164.531
where: short stacking energy: -66.109
Base-Backbone interact. energy: -0.572
local terms energy: -76.985511
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -18.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -235.293148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.293148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.293148 (E_RNA)
where:
Base-Base interactions energy: -159.973
where: short stacking energy: -68.940
Base-Backbone interact. energy: -1.127
local terms energy: -74.193595
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -18.963
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -8.607
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: 3, replica: 3
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -221.069821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.069821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.069821 (E_RNA)
where:
Base-Base interactions energy: -146.648
where: short stacking energy: -67.183
Base-Backbone interact. energy: -0.308
local terms energy: -74.113947
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -16.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -223.424725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.424725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.424725 (E_RNA)
where:
Base-Base interactions energy: -140.333
where: short stacking energy: -73.132
Base-Backbone interact. energy: -0.045
local terms energy: -83.046769
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -13.602
tors. eta vs tors. theta energy: -20.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -188.943783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.943783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.943783 (E_RNA)
where:
Base-Base interactions energy: -115.076
where: short stacking energy: -61.670
Base-Backbone interact. energy: -0.535
local terms energy: -73.332540
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -17.839
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -18.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -104.223861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.223861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.223861 (E_RNA)
where:
Base-Base interactions energy: -42.724
where: short stacking energy: -42.724
Base-Backbone interact. energy: -0.012
local terms energy: -61.487896
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -6.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -100.821916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.821916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.821916 (E_RNA)
where:
Base-Base interactions energy: -41.384
where: short stacking energy: -41.384
Base-Backbone interact. energy: -0.088
local terms energy: -59.349206
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -11.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -107.164322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.164322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.164322 (E_RNA)
where:
Base-Base interactions energy: -43.322
where: short stacking energy: -36.752
Base-Backbone interact. energy: -0.141
local terms energy: -63.701624
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -10.100
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: 6
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -94.995696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.995696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.995696 (E_RNA)
where:
Base-Base interactions energy: -40.429
where: short stacking energy: -26.254
Base-Backbone interact. energy: -0.053
local terms energy: -54.513303
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -0.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -89.302697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.302697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.302697 (E_RNA)
where:
Base-Base interactions energy: -35.003
where: short stacking energy: -21.469
Base-Backbone interact. energy: -1.414
local terms energy: -52.886059
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -1.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -243.263646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.263646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.263646 (E_RNA)
where:
Base-Base interactions energy: -163.252
where: short stacking energy: -73.221
Base-Backbone interact. energy: -0.492
local terms energy: -79.519413
where:
bonds (distance) C4'-P energy: -15.496
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -18.623
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -21.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -231.418270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.418270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.418270 (E_RNA)
where:
Base-Base interactions energy: -153.622
where: short stacking energy: -66.816
Base-Backbone interact. energy: -0.321
local terms energy: -77.475479
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -18.337
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -19.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -224.980670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.980670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.980670 (E_RNA)
where:
Base-Base interactions energy: -150.976
where: short stacking energy: -65.977
Base-Backbone interact. energy: -0.207
local terms energy: -73.797395
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -16.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -216.321570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.321570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.321570 (E_RNA)
where:
Base-Base interactions energy: -133.081
where: short stacking energy: -62.661
Base-Backbone interact. energy: -1.067
local terms energy: -82.174090
where:
bonds (distance) C4'-P energy: -17.677
bonds (distance) P-C4' energy: -17.183
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -17.386
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: 4
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -190.658757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.658757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.658757 (E_RNA)
where:
Base-Base interactions energy: -115.178
where: short stacking energy: -56.433
Base-Backbone interact. energy: -1.760
local terms energy: -73.720889
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -17.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -103.342587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.342587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.342587 (E_RNA)
where:
Base-Base interactions energy: -44.380
where: short stacking energy: -43.473
Base-Backbone interact. energy: -0.159
local terms energy: -58.803616
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -7.542
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: 7, replica: 8
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -106.968604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.968604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.968604 (E_RNA)
where:
Base-Base interactions energy: -44.059
where: short stacking energy: -37.974
Base-Backbone interact. energy: -0.164
local terms energy: -62.745385
where:
bonds (distance) C4'-P energy: -17.635
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -4.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -93.127645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.127645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.127645 (E_RNA)
where:
Base-Base interactions energy: -43.915
where: short stacking energy: -32.866
Base-Backbone interact. energy: -0.177
local terms energy: -49.035427
where:
bonds (distance) C4'-P energy: -10.200
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: -4.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -88.492607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.492607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.492607 (E_RNA)
where:
Base-Base interactions energy: -29.974
where: short stacking energy: -26.645
Base-Backbone interact. energy: -0.179
local terms energy: -58.339346
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -8.585
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: 10, replica: 7
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -93.157323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.157323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.157323 (E_RNA)
where:
Base-Base interactions energy: -37.580
where: short stacking energy: -33.740
Base-Backbone interact. energy: -0.272
local terms energy: -55.304834
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: 1.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -239.445626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.445626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.445626 (E_RNA)
where:
Base-Base interactions energy: -166.261
where: short stacking energy: -74.251
Base-Backbone interact. energy: -0.002
local terms energy: -73.182978
where:
bonds (distance) C4'-P energy: -14.870
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -15.787
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: 2
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -236.673062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.673062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.673062 (E_RNA)
where:
Base-Base interactions energy: -160.157
where: short stacking energy: -70.505
Base-Backbone interact. energy: -0.429
local terms energy: -76.086635
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -17.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -241.051593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.051593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.051593 (E_RNA)
where:
Base-Base interactions energy: -156.455
where: short stacking energy: -79.232
Base-Backbone interact. energy: -0.283
local terms energy: -84.313184
where:
bonds (distance) C4'-P energy: -11.136
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -18.403
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -24.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -221.352434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.352434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.352434 (E_RNA)
where:
Base-Base interactions energy: -144.760
where: short stacking energy: -54.604
Base-Backbone interact. energy: -0.946
local terms energy: -75.646246
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -18.692
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -12.039
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: 5, replica: 4
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -197.732674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.732674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.732674 (E_RNA)
where:
Base-Base interactions energy: -125.818
where: short stacking energy: -59.855
Base-Backbone interact. energy: -0.025
local terms energy: -71.889679
where:
bonds (distance) C4'-P energy: -11.347
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -16.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -114.239814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.239814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.239814 (E_RNA)
where:
Base-Base interactions energy: -46.324
where: short stacking energy: -32.205
Base-Backbone interact. energy: -0.672
local terms energy: -67.243554
where:
bonds (distance) C4'-P energy: -18.736
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -12.503
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: 7, replica: 9
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -105.519154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.519154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.519154 (E_RNA)
where:
Base-Base interactions energy: -38.954
where: short stacking energy: -38.954
Base-Backbone interact. energy: -0.187
local terms energy: -66.377766
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -15.823
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -10.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -88.736401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.736401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.736401 (E_RNA)
where:
Base-Base interactions energy: -33.811
where: short stacking energy: -29.142
Base-Backbone interact. energy: -0.131
local terms energy: -54.793865
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -11.847
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -1.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -94.727476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.727476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.727476 (E_RNA)
where:
Base-Base interactions energy: -30.026
where: short stacking energy: -28.434
Base-Backbone interact. energy: -0.274
local terms energy: -64.427691
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -5.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -75.091246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.091246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.091246 (E_RNA)
where:
Base-Base interactions energy: -31.078
where: short stacking energy: -27.079
Base-Backbone interact. energy: -0.204
local terms energy: -43.809399
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -10.569
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: 1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -236.051891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.051891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.051891 (E_RNA)
where:
Base-Base interactions energy: -156.458
where: short stacking energy: -68.369
Base-Backbone interact. energy: -0.254
local terms energy: -79.339420
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -17.894
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -18.705
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: 243
Temperature: 0.950000
Total energy: -244.581565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.581565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.581565 (E_RNA)
where:
Base-Base interactions energy: -164.948
where: short stacking energy: -70.491
Base-Backbone interact. energy: -0.432
local terms energy: -79.201985
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -19.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -230.426716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.426716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.426716 (E_RNA)
where:
Base-Base interactions energy: -155.080
where: short stacking energy: -70.805
Base-Backbone interact. energy: -0.320
local terms energy: -75.027138
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -19.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -220.551407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.551407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.551407 (E_RNA)
where:
Base-Base interactions energy: -150.679
where: short stacking energy: -59.432
Base-Backbone interact. energy: -0.511
local terms energy: -69.361615
where:
bonds (distance) C4'-P energy: -16.171
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -14.491
tors. eta vs tors. theta energy: -11.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -213.195001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.195001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.195001 (E_RNA)
where:
Base-Base interactions energy: -134.672
where: short stacking energy: -67.002
Base-Backbone interact. energy: -0.405
local terms energy: -78.118926
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -13.980
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: 6, replica: 10
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -107.151958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.151958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.151958 (E_RNA)
where:
Base-Base interactions energy: -52.682
where: short stacking energy: -42.013
Base-Backbone interact. energy: 1.608
local terms energy: -56.078301
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -4.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -99.651805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.651805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.651805 (E_RNA)
where:
Base-Base interactions energy: -50.105
where: short stacking energy: -27.081
Base-Backbone interact. energy: -1.215
local terms energy: -48.331944
where:
bonds (distance) C4'-P energy: -17.744
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -8.055
flat angles P-C4'-P energy: -4.773
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: 8, replica: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -83.532288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.532288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.532288 (E_RNA)
where:
Base-Base interactions energy: -33.013
where: short stacking energy: -19.462
Base-Backbone interact. energy: -0.188
local terms energy: -50.331418
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -8.506
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: 1.897
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: 9, replica: 8
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -86.760278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.760278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.760278 (E_RNA)
where:
Base-Base interactions energy: -31.054
where: short stacking energy: -26.358
Base-Backbone interact. energy: -0.320
local terms energy: -55.385927
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: -5.147
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: 7
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -81.767841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.767841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.767841 (E_RNA)
where:
Base-Base interactions energy: -31.716
where: short stacking energy: -31.716
Base-Backbone interact. energy: -0.055
local terms energy: -49.996926
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -8.570
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -6.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -242.956831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.956831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.956831 (E_RNA)
where:
Base-Base interactions energy: -168.808
where: short stacking energy: -72.421
Base-Backbone interact. energy: -0.965
local terms energy: -73.184060
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -19.091
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -14.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -245.581754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.581754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.581754 (E_RNA)
where:
Base-Base interactions energy: -165.611
where: short stacking energy: -68.436
Base-Backbone interact. energy: -0.486
local terms energy: -79.484787
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -14.863
tors. eta vs tors. theta energy: -16.771
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: 3
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -224.838456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.838456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.838456 (E_RNA)
where:
Base-Base interactions energy: -145.804
where: short stacking energy: -59.551
Base-Backbone interact. energy: -0.577
local terms energy: -78.457403
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -19.972
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -10.712
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: 1
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -213.577298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.577298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.577298 (E_RNA)
where:
Base-Base interactions energy: -139.590
where: short stacking energy: -62.974
Base-Backbone interact. energy: -0.286
local terms energy: -73.701000
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -20.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -185.252117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.252117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.252117 (E_RNA)
where:
Base-Base interactions energy: -110.926
where: short stacking energy: -60.199
Base-Backbone interact. energy: -0.049
local terms energy: -74.276680
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -11.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -117.958420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.958420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.958420 (E_RNA)
where:
Base-Base interactions energy: -52.225
where: short stacking energy: -52.225
Base-Backbone interact. energy: -0.003
local terms energy: -65.730718
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -10.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -94.581119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.581119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.581119 (E_RNA)
where:
Base-Base interactions energy: -37.601
where: short stacking energy: -32.541
Base-Backbone interact. energy: -0.580
local terms energy: -56.399938
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -6.208
tors. eta vs tors. theta energy: -3.440
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: 244
Temperature: 1.250000
Total energy: -99.159285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.159285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.159285 (E_RNA)
where:
Base-Base interactions energy: -42.065
where: short stacking energy: -23.504
Base-Backbone interact. energy: -1.035
local terms energy: -56.059713
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -10.503
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -6.232
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: 7
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -84.224139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.224139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.224139 (E_RNA)
where:
Base-Base interactions energy: -33.538
where: short stacking energy: -25.995
Base-Backbone interact. energy: 0.490
local terms energy: -51.176695
where:
bonds (distance) C4'-P energy: -6.057
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -0.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -75.756445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.756445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.756445 (E_RNA)
where:
Base-Base interactions energy: -24.570
where: short stacking energy: -24.570
Base-Backbone interact. energy: -0.022
local terms energy: -51.164751
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -10.161
flat angles P-C4'-P energy: -7.246
tors. eta vs tors. theta energy: 1.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -243.030402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.030402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.030402 (E_RNA)
where:
Base-Base interactions energy: -167.940
where: short stacking energy: -72.990
Base-Backbone interact. energy: -0.764
local terms energy: -74.326286
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -13.560
tors. eta vs tors. theta energy: -13.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -233.857935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.857935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.857935 (E_RNA)
where:
Base-Base interactions energy: -154.414
where: short stacking energy: -68.863
Base-Backbone interact. energy: -0.088
local terms energy: -79.355802
where:
bonds (distance) C4'-P energy: -15.627
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -18.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -240.544141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.544141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.544141 (E_RNA)
where:
Base-Base interactions energy: -171.514
where: short stacking energy: -61.832
Base-Backbone interact. energy: 1.309
local terms energy: -70.339216
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -12.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -221.704858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.704858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.704858 (E_RNA)
where:
Base-Base interactions energy: -148.790
where: short stacking energy: -82.131
Base-Backbone interact. energy: -0.594
local terms energy: -72.320138
where:
bonds (distance) C4'-P energy: -8.352
bonds (distance) P-C4' energy: -12.131
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -24.823
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: 245
Temperature: 1.100000
Total energy: -173.722543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.722543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.722543 (E_RNA)
where:
Base-Base interactions energy: -95.788
where: short stacking energy: -51.288
Base-Backbone interact. energy: -0.566
local terms energy: -77.368623
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -18.569
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -16.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -95.980879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.980879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.980879 (E_RNA)
where:
Base-Base interactions energy: -47.924
where: short stacking energy: -36.775
Base-Backbone interact. energy: 0.208
local terms energy: -48.264271
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -8.276
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -0.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -102.455683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.455683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.455683 (E_RNA)
where:
Base-Base interactions energy: -43.739
where: short stacking energy: -41.102
Base-Backbone interact. energy: 0.734
local terms energy: -59.450917
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -8.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -102.995161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.995161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.995161 (E_RNA)
where:
Base-Base interactions energy: -51.368
where: short stacking energy: -23.058
Base-Backbone interact. energy: -0.898
local terms energy: -50.729730
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -2.800
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: 9, replica: 7
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -85.789614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.789614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.789614 (E_RNA)
where:
Base-Base interactions energy: -27.480
where: short stacking energy: -24.716
Base-Backbone interact. energy: -0.432
local terms energy: -57.877695
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -16.937
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -3.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -80.257267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.257267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.257267 (E_RNA)
where:
Base-Base interactions energy: -40.328
where: short stacking energy: -31.206
Base-Backbone interact. energy: -1.278
local terms energy: -38.651444
where:
bonds (distance) C4'-P energy: -13.898
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -10.398
flat angles P-C4'-P energy: -1.949
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: 3
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -240.147338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.147338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.147338 (E_RNA)
where:
Base-Base interactions energy: -164.306
where: short stacking energy: -56.381
Base-Backbone interact. energy: -0.388
local terms energy: -75.453733
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -13.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -236.717348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.717348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.717348 (E_RNA)
where:
Base-Base interactions energy: -163.557
where: short stacking energy: -74.247
Base-Backbone interact. energy: -0.904
local terms energy: -72.257099
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -18.768
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -15.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -223.637448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.637448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.637448 (E_RNA)
where:
Base-Base interactions energy: -140.536
where: short stacking energy: -73.930
Base-Backbone interact. energy: -0.007
local terms energy: -83.095056
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -23.913
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: 2
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -236.979024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.979024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.979024 (E_RNA)
where:
Base-Base interactions energy: -164.415
where: short stacking energy: -68.389
Base-Backbone interact. energy: -0.022
local terms energy: -72.542524
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -5.372
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: 5, replica: 4
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -199.819852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.819852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.819852 (E_RNA)
where:
Base-Base interactions energy: -124.586
where: short stacking energy: -65.761
Base-Backbone interact. energy: -0.408
local terms energy: -74.826111
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -17.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -115.307158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.307158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.307158 (E_RNA)
where:
Base-Base interactions energy: -48.418
where: short stacking energy: -40.534
Base-Backbone interact. energy: -0.015
local terms energy: -66.873267
where:
bonds (distance) C4'-P energy: -19.089
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -11.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -111.670858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.670858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.670858 (E_RNA)
where:
Base-Base interactions energy: -53.345
where: short stacking energy: -23.575
Base-Backbone interact. energy: -0.040
local terms energy: -58.285994
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -2.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -109.998344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.998344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.998344 (E_RNA)
where:
Base-Base interactions energy: -48.456
where: short stacking energy: -44.493
Base-Backbone interact. energy: -0.059
local terms energy: -61.483993
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -4.019
tors. eta vs tors. theta energy: -8.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -89.422148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.422148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.422148 (E_RNA)
where:
Base-Base interactions energy: -29.209
where: short stacking energy: -27.532
Base-Backbone interact. energy: -0.100
local terms energy: -60.112958
where:
bonds (distance) C4'-P energy: -17.057
bonds (distance) P-C4' energy: -18.748
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -5.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -96.244668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.244668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.244668 (E_RNA)
where:
Base-Base interactions energy: -37.589
where: short stacking energy: -31.178
Base-Backbone interact. energy: -0.072
local terms energy: -58.582815
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -10.791
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -6.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -232.024751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.024751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.024751 (E_RNA)
where:
Base-Base interactions energy: -158.561
where: short stacking energy: -62.933
Base-Backbone interact. energy: 0.121
local terms energy: -73.584546
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -17.649
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: 5
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -250.665700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.665700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.665700 (E_RNA)
where:
Base-Base interactions energy: -173.105
where: short stacking energy: -72.457
Base-Backbone interact. energy: 0.343
local terms energy: -77.903221
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -14.667
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: 3, replica: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -223.269748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.269748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.269748 (E_RNA)
where:
Base-Base interactions energy: -142.535
where: short stacking energy: -69.700
Base-Backbone interact. energy: -0.081
local terms energy: -80.654205
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -19.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -202.745058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.745058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.745058 (E_RNA)
where:
Base-Base interactions energy: -123.481
where: short stacking energy: -68.493
Base-Backbone interact. energy: -1.760
local terms energy: -77.504030
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -19.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -216.136711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.136711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.136711 (E_RNA)
where:
Base-Base interactions energy: -144.020
where: short stacking energy: -61.200
Base-Backbone interact. energy: -0.556
local terms energy: -71.560496
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -14.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -118.100052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.100052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.100052 (E_RNA)
where:
Base-Base interactions energy: -58.872
where: short stacking energy: -32.923
Base-Backbone interact. energy: -0.937
local terms energy: -58.291428
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -10.782
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -6.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -116.500790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.500790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.500790 (E_RNA)
where:
Base-Base interactions energy: -63.127
where: short stacking energy: -38.609
Base-Backbone interact. energy: 1.256
local terms energy: -54.630120
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -16.140
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -6.353
tors. eta vs tors. theta energy: -6.402
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: 10
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -88.905267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.905267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.905267 (E_RNA)
where:
Base-Base interactions energy: -30.505
where: short stacking energy: -28.533
Base-Backbone interact. energy: 0.072
local terms energy: -58.472405
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -10.977
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: 247
Temperature: 1.300000
Total energy: -92.464413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.464413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.464413 (E_RNA)
where:
Base-Base interactions energy: -34.358
where: short stacking energy: -28.552
Base-Backbone interact. energy: 0.464
local terms energy: -58.571204
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -0.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -91.975919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.975919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.975919 (E_RNA)
where:
Base-Base interactions energy: -34.762
where: short stacking energy: -34.762
Base-Backbone interact. energy: 0.109
local terms energy: -57.322378
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -18.247
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -3.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -236.303264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.303264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.303264 (E_RNA)
where:
Base-Base interactions energy: -167.258
where: short stacking energy: -61.212
Base-Backbone interact. energy: -0.454
local terms energy: -68.591183
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -18.612
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -12.756
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: 5
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -238.688629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.688629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.688629 (E_RNA)
where:
Base-Base interactions energy: -163.229
where: short stacking energy: -71.305
Base-Backbone interact. energy: -0.161
local terms energy: -75.299261
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -19.277
flat angles P-C4'-P energy: -11.359
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: 3, replica: 4
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -208.807496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.807496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.807496 (E_RNA)
where:
Base-Base interactions energy: -126.246
where: short stacking energy: -67.301
Base-Backbone interact. energy: 2.003
local terms energy: -84.564015
where:
bonds (distance) C4'-P energy: -18.001
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -20.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -220.729254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.729254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.729254 (E_RNA)
where:
Base-Base interactions energy: -138.601
where: short stacking energy: -70.512
Base-Backbone interact. energy: -0.154
local terms energy: -81.974322
where:
bonds (distance) C4'-P energy: -19.771
bonds (distance) P-C4' energy: -18.285
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -8.027
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: 5, replica: 2
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -206.285558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.285558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.285558 (E_RNA)
where:
Base-Base interactions energy: -141.492
where: short stacking energy: -51.331
Base-Backbone interact. energy: -0.392
local terms energy: -64.401732
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -11.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -118.685898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.685898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.685898 (E_RNA)
where:
Base-Base interactions energy: -57.398
where: short stacking energy: -22.415
Base-Backbone interact. energy: -0.160
local terms energy: -61.127683
where:
bonds (distance) C4'-P energy: -14.233
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -4.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -95.948910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.948910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.948910 (E_RNA)
where:
Base-Base interactions energy: -43.266
where: short stacking energy: -32.716
Base-Backbone interact. energy: 0.238
local terms energy: -52.921100
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -3.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -95.405455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.405455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.405455 (E_RNA)
where:
Base-Base interactions energy: -44.408
where: short stacking energy: -29.219
Base-Backbone interact. energy: -0.214
local terms energy: -50.783398
where:
bonds (distance) C4'-P energy: -17.326
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -10.094
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: 2.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -116.703860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.703860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.703860 (E_RNA)
where:
Base-Base interactions energy: -62.189
where: short stacking energy: -29.807
Base-Backbone interact. energy: -0.220
local terms energy: -54.295337
where:
bonds (distance) C4'-P energy: -12.540
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -4.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -103.520077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.520077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.520077 (E_RNA)
where:
Base-Base interactions energy: -52.728
where: short stacking energy: -31.551
Base-Backbone interact. energy: 0.003
local terms energy: -50.795166
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -8.404
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -8.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -234.540367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.540367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.540367 (E_RNA)
where:
Base-Base interactions energy: -164.913
where: short stacking energy: -63.027
Base-Backbone interact. energy: -1.033
local terms energy: -68.594464
where:
bonds (distance) C4'-P energy: -18.497
bonds (distance) P-C4' energy: -11.752
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -12.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -242.724504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.724504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.724504 (E_RNA)
where:
Base-Base interactions energy: -171.642
where: short stacking energy: -73.721
Base-Backbone interact. energy: 0.351
local terms energy: -71.433509
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -12.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -208.644025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.644025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.644025 (E_RNA)
where:
Base-Base interactions energy: -135.011
where: short stacking energy: -63.523
Base-Backbone interact. energy: -0.181
local terms energy: -73.452770
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -14.497
tors. eta vs tors. theta energy: -13.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -209.403997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.403997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.403997 (E_RNA)
where:
Base-Base interactions energy: -131.314
where: short stacking energy: -64.559
Base-Backbone interact. energy: -0.564
local terms energy: -77.526488
where:
bonds (distance) C4'-P energy: -18.596
bonds (distance) P-C4' energy: -8.612
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -20.556
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: 2
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -186.618578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.618578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.618578 (E_RNA)
where:
Base-Base interactions energy: -121.553
where: short stacking energy: -57.144
Base-Backbone interact. energy: -0.066
local terms energy: -64.999628
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -9.337
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -16.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -111.237037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.237037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.237037 (E_RNA)
where:
Base-Base interactions energy: -43.871
where: short stacking energy: -41.922
Base-Backbone interact. energy: -0.033
local terms energy: -67.332691
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -16.922
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -10.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -102.115282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.115282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.115282 (E_RNA)
where:
Base-Base interactions energy: -36.831
where: short stacking energy: -34.360
Base-Backbone interact. energy: -0.203
local terms energy: -65.081340
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -9.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -93.465223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.465223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.465223 (E_RNA)
where:
Base-Base interactions energy: -31.340
where: short stacking energy: -28.631
Base-Backbone interact. energy: 0.509
local terms energy: -62.633710
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -18.538
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -13.121
tors. eta vs tors. theta energy: -4.403
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: 7
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -86.291180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.291180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.291180 (E_RNA)
where:
Base-Base interactions energy: -38.844
where: short stacking energy: -24.106
Base-Backbone interact. energy: -0.125
local terms energy: -47.321912
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: 1.830
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: 10, replica: 8
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -89.264613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.264613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.264613 (E_RNA)
where:
Base-Base interactions energy: -39.087
where: short stacking energy: -28.827
Base-Backbone interact. energy: -0.741
local terms energy: -49.436649
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -9.039
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -5.834
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: 5
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -245.386120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.386120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.386120 (E_RNA)
where:
Base-Base interactions energy: -173.688
where: short stacking energy: -71.110
Base-Backbone interact. energy: -0.259
local terms energy: -71.438975
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -13.120
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: 2, replica: 3
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -235.863431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.863431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.863431 (E_RNA)
where:
Base-Base interactions energy: -160.727
where: short stacking energy: -69.090
Base-Backbone interact. energy: -0.575
local terms energy: -74.562247
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -18.469
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -15.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -226.417466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.417466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.417466 (E_RNA)
where:
Base-Base interactions energy: -149.535
where: short stacking energy: -78.277
Base-Backbone interact. energy: -0.064
local terms energy: -76.818749
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -21.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -197.864018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.864018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.864018 (E_RNA)
where:
Base-Base interactions energy: -120.673
where: short stacking energy: -65.357
Base-Backbone interact. energy: -0.019
local terms energy: -77.171073
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -18.869
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -21.861
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: 2
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -202.341555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.341555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.341555 (E_RNA)
where:
Base-Base interactions energy: -130.639
where: short stacking energy: -70.100
Base-Backbone interact. energy: -0.039
local terms energy: -71.663145
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -14.168
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -16.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -111.472371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.472371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.472371 (E_RNA)
where:
Base-Base interactions energy: -53.043
where: short stacking energy: -33.758
Base-Backbone interact. energy: -0.575
local terms energy: -57.854205
where:
bonds (distance) C4'-P energy: -16.691
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -13.558
tors. eta vs tors. theta energy: 1.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -101.472709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.472709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.472709 (E_RNA)
where:
Base-Base interactions energy: -37.532
where: short stacking energy: -34.911
Base-Backbone interact. energy: -0.059
local terms energy: -63.881495
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -12.018
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: 6
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -102.025822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.025822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.025822 (E_RNA)
where:
Base-Base interactions energy: -47.813
where: short stacking energy: -29.075
Base-Backbone interact. energy: -0.408
local terms energy: -53.804728
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: 0.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -96.166827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.166827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.166827 (E_RNA)
where:
Base-Base interactions energy: -35.903
where: short stacking energy: -33.948
Base-Backbone interact. energy: -0.756
local terms energy: -59.507790
where:
bonds (distance) C4'-P energy: -17.284
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -7.525
tors. eta vs tors. theta energy: -3.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -94.760360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.760360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.760360 (E_RNA)
where:
Base-Base interactions energy: -37.583
where: short stacking energy: -34.499
Base-Backbone interact. energy: -0.175
local terms energy: -57.003041
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -16.528
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -2.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -251.990291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.990291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.990291 (E_RNA)
where:
Base-Base interactions energy: -173.090
where: short stacking energy: -64.245
Base-Backbone interact. energy: -1.127
local terms energy: -77.773597
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -14.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -232.216189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.216189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.216189 (E_RNA)
where:
Base-Base interactions energy: -158.225
where: short stacking energy: -63.617
Base-Backbone interact. energy: -1.028
local terms energy: -72.962935
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -19.849
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -15.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -223.418923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.418923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.418923 (E_RNA)
where:
Base-Base interactions energy: -147.017
where: short stacking energy: -80.219
Base-Backbone interact. energy: 0.401
local terms energy: -76.803408
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -15.217
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: 4
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -204.400446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.400446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.400446 (E_RNA)
where:
Base-Base interactions energy: -126.370
where: short stacking energy: -66.511
Base-Backbone interact. energy: -0.470
local terms energy: -77.561056
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -20.561
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: 5, replica: 2
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -185.736649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.736649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.736649 (E_RNA)
where:
Base-Base interactions energy: -121.142
where: short stacking energy: -66.412
Base-Backbone interact. energy: -0.114
local terms energy: -64.480326
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -10.989
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -18.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -100.536370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.536370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.536370 (E_RNA)
where:
Base-Base interactions energy: -45.712
where: short stacking energy: -26.810
Base-Backbone interact. energy: -0.116
local terms energy: -54.708218
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -2.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -103.800394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.800394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.800394 (E_RNA)
where:
Base-Base interactions energy: -40.843
where: short stacking energy: -32.486
Base-Backbone interact. energy: -0.279
local terms energy: -62.678699
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -7.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -98.475768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.475768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.475768 (E_RNA)
where:
Base-Base interactions energy: -43.541
where: short stacking energy: -43.541
Base-Backbone interact. energy: -0.154
local terms energy: -54.779910
where:
bonds (distance) C4'-P energy: -9.915
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -5.406
tors. eta vs tors. theta energy: -7.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -87.788627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.788627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.788627 (E_RNA)
where:
Base-Base interactions energy: -25.783
where: short stacking energy: -25.461
Base-Backbone interact. energy: -0.995
local terms energy: -61.010833
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -7.166
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: 7
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -78.526374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.526374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.526374 (E_RNA)
where:
Base-Base interactions energy: -22.007
where: short stacking energy: -13.467
Base-Backbone interact. energy: -0.471
local terms energy: -56.048377
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: 2.558
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: 3
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -234.383694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.383694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.383694 (E_RNA)
where:
Base-Base interactions energy: -156.275
where: short stacking energy: -68.813
Base-Backbone interact. energy: -0.697
local terms energy: -77.411215
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -17.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -235.308380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.308380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.308380 (E_RNA)
where:
Base-Base interactions energy: -158.628
where: short stacking energy: -63.195
Base-Backbone interact. energy: -0.673
local terms energy: -76.007267
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -18.276
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -11.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -219.184753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.184753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.184753 (E_RNA)
where:
Base-Base interactions energy: -143.662
where: short stacking energy: -72.954
Base-Backbone interact. energy: -0.057
local terms energy: -75.465939
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -22.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -209.446676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.446676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.446676 (E_RNA)
where:
Base-Base interactions energy: -130.107
where: short stacking energy: -68.052
Base-Backbone interact. energy: -0.037
local terms energy: -79.303185
where:
bonds (distance) C4'-P energy: -10.365
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -19.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -189.262255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.262255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.262255 (E_RNA)
where:
Base-Base interactions energy: -123.044
where: short stacking energy: -67.697
Base-Backbone interact. energy: -0.346
local terms energy: -65.871831
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -10.327
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -6.915
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: 6, replica: 9
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -105.507517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.507517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.507517 (E_RNA)
where:
Base-Base interactions energy: -38.381
where: short stacking energy: -37.912
Base-Backbone interact. energy: -0.083
local terms energy: -67.044210
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -10.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -122.701784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.701784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.701784 (E_RNA)
where:
Base-Base interactions energy: -50.865
where: short stacking energy: -48.110
Base-Backbone interact. energy: -0.850
local terms energy: -70.986543
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -17.821
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -10.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -97.260442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.260442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.260442 (E_RNA)
where:
Base-Base interactions energy: -40.241
where: short stacking energy: -36.219
Base-Backbone interact. energy: -0.090
local terms energy: -56.930055
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -17.648
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: 1.387
tors. eta vs tors. theta energy: -9.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -85.240623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.240623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.240623 (E_RNA)
where:
Base-Base interactions energy: -34.829
where: short stacking energy: -23.313
Base-Backbone interact. energy: -1.826
local terms energy: -48.585651
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -12.131
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: 2.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -80.061398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.061398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.061398 (E_RNA)
where:
Base-Base interactions energy: -34.335
where: short stacking energy: -29.268
Base-Backbone interact. energy: -0.362
local terms energy: -45.364655
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -10.752
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: 1.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -237.003786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.003786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.003786 (E_RNA)
where:
Base-Base interactions energy: -160.717
where: short stacking energy: -68.281
Base-Backbone interact. energy: -0.254
local terms energy: -76.032218
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -12.511
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: 2, replica: 5
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -231.292653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.292653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.292653 (E_RNA)
where:
Base-Base interactions energy: -156.998
where: short stacking energy: -64.619
Base-Backbone interact. energy: -0.644
local terms energy: -73.650412
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -13.477
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: 1
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -219.559972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.559972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.559972 (E_RNA)
where:
Base-Base interactions energy: -134.795
where: short stacking energy: -70.771
Base-Backbone interact. energy: -0.035
local terms energy: -84.729569
where:
bonds (distance) C4'-P energy: -17.723
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -20.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -175.797884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.797884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.797884 (E_RNA)
where:
Base-Base interactions energy: -116.862
where: short stacking energy: -55.156
Base-Backbone interact. energy: -0.160
local terms energy: -58.776207
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -8.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -202.200903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.200903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.200903 (E_RNA)
where:
Base-Base interactions energy: -123.350
where: short stacking energy: -71.190
Base-Backbone interact. energy: -0.111
local terms energy: -78.740231
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -21.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -101.937144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.937144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.937144 (E_RNA)
where:
Base-Base interactions energy: -43.917
where: short stacking energy: -43.917
Base-Backbone interact. energy: -0.020
local terms energy: -57.999800
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -10.059
flat angles P-C4'-P energy: -10.326
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: 7, replica: 6
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -103.137880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.137880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.137880 (E_RNA)
where:
Base-Base interactions energy: -38.909
where: short stacking energy: -35.807
Base-Backbone interact. energy: 3.810
local terms energy: -68.039508
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -2.858
tors. eta vs tors. theta energy: -9.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -135.190086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.190086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.190086 (E_RNA)
where:
Base-Base interactions energy: -77.448
where: short stacking energy: -36.941
Base-Backbone interact. energy: -0.158
local terms energy: -57.583653
where:
bonds (distance) C4'-P energy: -8.048
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -86.111389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.111389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.111389 (E_RNA)
where:
Base-Base interactions energy: -32.555
where: short stacking energy: -25.264
Base-Backbone interact. energy: 2.885
local terms energy: -56.440532
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -10.218
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -3.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -88.800144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.800144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.800144 (E_RNA)
where:
Base-Base interactions energy: -35.358
where: short stacking energy: -31.220
Base-Backbone interact. energy: -0.029
local terms energy: -53.412857
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -1.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -244.216682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.216682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.216682 (E_RNA)
where:
Base-Base interactions energy: -164.023
where: short stacking energy: -73.213
Base-Backbone interact. energy: 1.267
local terms energy: -81.460528
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -18.751
flat angles P-C4'-P energy: -13.676
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: 2, replica: 3
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -231.391922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.391922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.391922 (E_RNA)
where:
Base-Base interactions energy: -152.497
where: short stacking energy: -61.039
Base-Backbone interact. energy: -0.299
local terms energy: -78.595854
where:
bonds (distance) C4'-P energy: -16.651
bonds (distance) P-C4' energy: -14.506
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -19.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -209.999662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.999662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.999662 (E_RNA)
where:
Base-Base interactions energy: -127.817
where: short stacking energy: -71.083
Base-Backbone interact. energy: -0.017
local terms energy: -82.165151
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -18.387
flat angles P-C4'-P energy: -13.655
tors. eta vs tors. theta energy: -16.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -217.594770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.594770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.594770 (E_RNA)
where:
Base-Base interactions energy: -131.211
where: short stacking energy: -71.085
Base-Backbone interact. energy: -0.156
local terms energy: -86.227573
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -22.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -199.388791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.388791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.388791 (E_RNA)
where:
Base-Base interactions energy: -130.277
where: short stacking energy: -62.783
Base-Backbone interact. energy: -0.194
local terms energy: -68.918337
where:
bonds (distance) C4'-P energy: -11.215
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -17.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -117.362142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.362142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.362142 (E_RNA)
where:
Base-Base interactions energy: -55.351
where: short stacking energy: -42.417
Base-Backbone interact. energy: -1.256
local terms energy: -60.755071
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -18.603
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -133.364338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.364338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.364338 (E_RNA)
where:
Base-Base interactions energy: -69.679
where: short stacking energy: -41.929
Base-Backbone interact. energy: -0.012
local terms energy: -63.674162
where:
bonds (distance) C4'-P energy: -16.250
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -9.257
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: 8, replica: 6
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -98.133268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.133268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.133268 (E_RNA)
where:
Base-Base interactions energy: -41.820
where: short stacking energy: -40.076
Base-Backbone interact. energy: -0.136
local terms energy: -56.177143
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -4.413
tors. eta vs tors. theta energy: -9.025
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: 254
Temperature: 1.300000
Total energy: -87.286092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.286092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.286092 (E_RNA)
where:
Base-Base interactions energy: -31.683
where: short stacking energy: -30.224
Base-Backbone interact. energy: -0.039
local terms energy: -55.564587
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -1.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -105.788134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.788134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.788134 (E_RNA)
where:
Base-Base interactions energy: -58.123
where: short stacking energy: -24.673
Base-Backbone interact. energy: 0.701
local terms energy: -48.366049
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -4.089
tors. eta vs tors. theta energy: -0.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -243.139384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.139384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.139384 (E_RNA)
where:
Base-Base interactions energy: -172.811
where: short stacking energy: -66.475
Base-Backbone interact. energy: -0.887
local terms energy: -69.441632
where:
bonds (distance) C4'-P energy: -17.672
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -14.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -231.632212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.632212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.632212 (E_RNA)
where:
Base-Base interactions energy: -154.806
where: short stacking energy: -69.092
Base-Backbone interact. energy: -0.290
local terms energy: -76.536534
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -17.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -182.264902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.264902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.264902 (E_RNA)
where:
Base-Base interactions energy: -113.948
where: short stacking energy: -53.574
Base-Backbone interact. energy: -0.206
local terms energy: -68.111276
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -19.583
flat angles P-C4'-P energy: -10.338
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: 4, replica: 4
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -210.416593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.416593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.416593 (E_RNA)
where:
Base-Base interactions energy: -127.389
where: short stacking energy: -68.530
Base-Backbone interact. energy: -0.047
local terms energy: -82.981056
where:
bonds (distance) C4'-P energy: -17.793
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -11.166
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: 5, replica: 1
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -200.716569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.716569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.716569 (E_RNA)
where:
Base-Base interactions energy: -120.450
where: short stacking energy: -68.713
Base-Backbone interact. energy: -0.087
local terms energy: -80.179624
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -11.288
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -23.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -130.385214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.385214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.385214 (E_RNA)
where:
Base-Base interactions energy: -67.445
where: short stacking energy: -36.732
Base-Backbone interact. energy: -0.008
local terms energy: -62.932339
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -6.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -111.103332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.103332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.103332 (E_RNA)
where:
Base-Base interactions energy: -57.364
where: short stacking energy: -40.465
Base-Backbone interact. energy: -0.093
local terms energy: -53.646228
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -11.600
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -4.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -99.109000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.109000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.109000 (E_RNA)
where:
Base-Base interactions energy: -35.431
where: short stacking energy: -35.431
Base-Backbone interact. energy: -0.029
local terms energy: -63.648860
where:
bonds (distance) C4'-P energy: -16.770
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -9.005
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: 9, replica: 6
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -79.284608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.284608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.284608 (E_RNA)
where:
Base-Base interactions energy: -27.302
where: short stacking energy: -23.745
Base-Backbone interact. energy: -2.176
local terms energy: -49.805979
where:
bonds (distance) C4'-P energy: -8.167
bonds (distance) P-C4' energy: -12.354
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -4.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -86.896110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.896110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.896110 (E_RNA)
where:
Base-Base interactions energy: -37.529
where: short stacking energy: -30.771
Base-Backbone interact. energy: -0.139
local terms energy: -49.227635
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -6.348
tors. eta vs tors. theta energy: -2.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -245.382775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.382775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.382775 (E_RNA)
where:
Base-Base interactions energy: -163.638
where: short stacking energy: -64.404
Base-Backbone interact. energy: -0.165
local terms energy: -81.580114
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -14.096
tors. eta vs tors. theta energy: -17.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -221.162848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.162848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.162848 (E_RNA)
where:
Base-Base interactions energy: -142.500
where: short stacking energy: -66.160
Base-Backbone interact. energy: -0.240
local terms energy: -78.423527
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -17.035
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -15.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -215.647691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.647691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.647691 (E_RNA)
where:
Base-Base interactions energy: -136.225
where: short stacking energy: -62.025
Base-Backbone interact. energy: -0.909
local terms energy: -78.513975
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -17.642
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -7.872
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: 4, replica: 2
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -171.236904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.236904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.236904 (E_RNA)
where:
Base-Base interactions energy: -108.090
where: short stacking energy: -48.986
Base-Backbone interact. energy: -0.099
local terms energy: -63.048508
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -19.718
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -6.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -171.098933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.098933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.098933 (E_RNA)
where:
Base-Base interactions energy: -97.930
where: short stacking energy: -57.996
Base-Backbone interact. energy: -0.006
local terms energy: -73.162947
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -14.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -105.301206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.301206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.301206 (E_RNA)
where:
Base-Base interactions energy: -46.469
where: short stacking energy: -31.310
Base-Backbone interact. energy: -0.531
local terms energy: -58.300552
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -4.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -91.632246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.632246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.632246 (E_RNA)
where:
Base-Base interactions energy: -30.783
where: short stacking energy: -30.783
Base-Backbone interact. energy: -0.133
local terms energy: -60.716016
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -3.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -98.169303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.169303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.169303 (E_RNA)
where:
Base-Base interactions energy: -49.569
where: short stacking energy: -23.600
Base-Backbone interact. energy: 0.633
local terms energy: -49.233366
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: 1.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -78.726079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.726079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.726079 (E_RNA)
where:
Base-Base interactions energy: -26.609
where: short stacking energy: -23.854
Base-Backbone interact. energy: -0.051
local terms energy: -52.065882
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -10.866
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -0.339
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: 6
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -88.604086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.604086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.604086 (E_RNA)
where:
Base-Base interactions energy: -31.222
where: short stacking energy: -29.981
Base-Backbone interact. energy: 1.532
local terms energy: -58.914443
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -4.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -241.357694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.357694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.357694 (E_RNA)
where:
Base-Base interactions energy: -163.600
where: short stacking energy: -66.940
Base-Backbone interact. energy: -0.235
local terms energy: -77.523043
where:
bonds (distance) C4'-P energy: -16.654
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -10.131
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: 3
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -223.612160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.612160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.612160 (E_RNA)
where:
Base-Base interactions energy: -152.630
where: short stacking energy: -61.294
Base-Backbone interact. energy: 0.454
local terms energy: -71.436939
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -17.324
flat angles P-C4'-P energy: -8.573
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: 3, replica: 4
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -225.304187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.304187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.304187 (E_RNA)
where:
Base-Base interactions energy: -138.299
where: short stacking energy: -75.864
Base-Backbone interact. energy: -0.203
local terms energy: -86.801672
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -19.289
flat angles P-C4'-P energy: -15.809
tors. eta vs tors. theta energy: -18.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -181.078483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.078483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.078483 (E_RNA)
where:
Base-Base interactions energy: -105.295
where: short stacking energy: -67.274
Base-Backbone interact. energy: -0.089
local terms energy: -75.694239
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -14.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -189.709535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.709535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.709535 (E_RNA)
where:
Base-Base interactions energy: -122.583
where: short stacking energy: -53.660
Base-Backbone interact. energy: 1.316
local terms energy: -68.442562
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -15.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -95.528792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.528792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.528792 (E_RNA)
where:
Base-Base interactions energy: -41.170
where: short stacking energy: -26.498
Base-Backbone interact. energy: 0.266
local terms energy: -54.625397
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -7.113
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: 7, replica: 7
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -107.620512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.620512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.620512 (E_RNA)
where:
Base-Base interactions energy: -49.403
where: short stacking energy: -44.342
Base-Backbone interact. energy: -1.732
local terms energy: -56.485867
where:
bonds (distance) C4'-P energy: -10.527
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -8.989
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: 10
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -90.714274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.714274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.714274 (E_RNA)
where:
Base-Base interactions energy: -45.259
where: short stacking energy: -28.285
Base-Backbone interact. energy: -0.078
local terms energy: -45.377146
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: 6.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -79.866294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.866294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.866294 (E_RNA)
where:
Base-Base interactions energy: -30.283
where: short stacking energy: -26.369
Base-Backbone interact. energy: -0.485
local terms energy: -49.098637
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -6.691
tors. eta vs tors. theta energy: 3.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -95.354842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.354842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.354842 (E_RNA)
where:
Base-Base interactions energy: -31.677
where: short stacking energy: -31.777
Base-Backbone interact. energy: -0.055
local terms energy: -63.622983
where:
bonds (distance) C4'-P energy: -17.279
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -2.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -244.809674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.809674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.809674 (E_RNA)
where:
Base-Base interactions energy: -163.301
where: short stacking energy: -75.471
Base-Backbone interact. energy: -0.629
local terms energy: -80.879451
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -17.324
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -16.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -221.941814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.941814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.941814 (E_RNA)
where:
Base-Base interactions energy: -154.012
where: short stacking energy: -59.277
Base-Backbone interact. energy: 0.658
local terms energy: -68.587192
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -9.870
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: 3, replica: 4
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -199.988251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.988251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.988251 (E_RNA)
where:
Base-Base interactions energy: -127.262
where: short stacking energy: -59.688
Base-Backbone interact. energy: -0.325
local terms energy: -72.400489
where:
bonds (distance) C4'-P energy: -12.921
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -13.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -183.348809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.348809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.348809 (E_RNA)
where:
Base-Base interactions energy: -123.663
where: short stacking energy: -61.115
Base-Backbone interact. energy: 0.927
local terms energy: -60.612281
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -9.918
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -11.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -198.778830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.778830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.778830 (E_RNA)
where:
Base-Base interactions energy: -128.592
where: short stacking energy: -54.454
Base-Backbone interact. energy: -0.482
local terms energy: -69.704661
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -6.679
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: 6, replica: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -96.627239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.627239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.627239 (E_RNA)
where:
Base-Base interactions energy: -46.562
where: short stacking energy: -44.337
Base-Backbone interact. energy: -0.131
local terms energy: -49.934737
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -4.988
tors. eta vs tors. theta energy: -6.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -95.801344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.801344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.801344 (E_RNA)
where:
Base-Base interactions energy: -36.696
where: short stacking energy: -24.147
Base-Backbone interact. energy: -1.726
local terms energy: -57.378997
where:
bonds (distance) C4'-P energy: -11.340
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -3.886
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: 10
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -97.857744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.857744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.857744 (E_RNA)
where:
Base-Base interactions energy: -48.118
where: short stacking energy: -38.200
Base-Backbone interact. energy: -0.262
local terms energy: -49.477955
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -5.856
tors. eta vs tors. theta energy: -2.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -90.211329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.211329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.211329 (E_RNA)
where:
Base-Base interactions energy: -31.916
where: short stacking energy: -31.119
Base-Backbone interact. energy: -0.102
local terms energy: -58.193244
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -9.468
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -7.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -86.325224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.325224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.325224 (E_RNA)
where:
Base-Base interactions energy: -27.250
where: short stacking energy: -27.250
Base-Backbone interact. energy: -0.345
local terms energy: -58.730241
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -11.320
flat angles P-C4'-P energy: -12.894
tors. eta vs tors. theta energy: -4.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -242.954708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.954708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.954708 (E_RNA)
where:
Base-Base interactions energy: -164.334
where: short stacking energy: -67.539
Base-Backbone interact. energy: -0.433
local terms energy: -78.187518
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -15.051
tors. eta vs tors. theta energy: -13.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -224.036089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.036089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.036089 (E_RNA)
where:
Base-Base interactions energy: -154.627
where: short stacking energy: -62.883
Base-Backbone interact. energy: 0.091
local terms energy: -69.500373
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -14.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -216.449240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.449240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.449240 (E_RNA)
where:
Base-Base interactions energy: -133.012
where: short stacking energy: -71.920
Base-Backbone interact. energy: 0.184
local terms energy: -83.621108
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -18.465
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -22.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -208.017716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.017716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.017716 (E_RNA)
where:
Base-Base interactions energy: -135.606
where: short stacking energy: -54.646
Base-Backbone interact. energy: -0.587
local terms energy: -71.824660
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -11.442
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -17.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -159.947073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.947073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.947073 (E_RNA)
where:
Base-Base interactions energy: -98.067
where: short stacking energy: -60.531
Base-Backbone interact. energy: 0.184
local terms energy: -62.064795
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -9.314
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -13.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -100.382161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.382161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.382161 (E_RNA)
where:
Base-Base interactions energy: -39.774
where: short stacking energy: -39.774
Base-Backbone interact. energy: -0.058
local terms energy: -60.549751
where:
bonds (distance) C4'-P energy: -18.841
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -4.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -99.836994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.836994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.836994 (E_RNA)
where:
Base-Base interactions energy: -35.737
where: short stacking energy: -34.517
Base-Backbone interact. energy: -1.175
local terms energy: -62.924790
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -3.950
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: 6
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -83.155745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.155745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.155745 (E_RNA)
where:
Base-Base interactions energy: -36.531
where: short stacking energy: -17.241
Base-Backbone interact. energy: -0.471
local terms energy: -46.154281
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -7.679
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -2.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -135.603212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.603212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.603212 (E_RNA)
where:
Base-Base interactions energy: -68.908
where: short stacking energy: -35.071
Base-Backbone interact. energy: -0.131
local terms energy: -66.564334
where:
bonds (distance) C4'-P energy: -11.835
bonds (distance) P-C4' energy: -17.281
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -6.835
tors. eta vs tors. theta energy: -13.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -84.048627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.048627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.048627 (E_RNA)
where:
Base-Base interactions energy: -30.985
where: short stacking energy: -23.614
Base-Backbone interact. energy: -0.489
local terms energy: -52.574681
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -4.261
tors. eta vs tors. theta energy: -4.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -228.105142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.105142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.105142 (E_RNA)
where:
Base-Base interactions energy: -149.653
where: short stacking energy: -69.033
Base-Backbone interact. energy: -0.216
local terms energy: -78.235583
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -11.509
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: 5
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -249.654468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.654468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.654468 (E_RNA)
where:
Base-Base interactions energy: -168.462
where: short stacking energy: -75.109
Base-Backbone interact. energy: -0.139
local terms energy: -81.053810
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -13.379
tors. eta vs tors. theta energy: -19.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -211.294691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.294691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.294691 (E_RNA)
where:
Base-Base interactions energy: -131.686
where: short stacking energy: -69.259
Base-Backbone interact. energy: -0.325
local terms energy: -79.283272
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -15.890
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -19.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -209.547190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.547190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.547190 (E_RNA)
where:
Base-Base interactions energy: -144.995
where: short stacking energy: -66.599
Base-Backbone interact. energy: -0.026
local terms energy: -64.525551
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -16.707
flat angles C4'-P-C4' energy: -10.050
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -12.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -169.836985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.836985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.836985 (E_RNA)
where:
Base-Base interactions energy: -101.907
where: short stacking energy: -56.164
Base-Backbone interact. energy: -0.079
local terms energy: -67.850940
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -10.369
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -12.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -110.026588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.026588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.026588 (E_RNA)
where:
Base-Base interactions energy: -43.386
where: short stacking energy: -43.386
Base-Backbone interact. energy: -0.016
local terms energy: -66.624911
where:
bonds (distance) C4'-P energy: -15.627
bonds (distance) P-C4' energy: -18.198
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -6.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -91.635702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.635702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.635702 (E_RNA)
where:
Base-Base interactions energy: -32.312
where: short stacking energy: -32.312
Base-Backbone interact. energy: -0.027
local terms energy: -59.296974
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -7.533
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -10.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -84.969476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.969476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.969476 (E_RNA)
where:
Base-Base interactions energy: -32.563
where: short stacking energy: -32.118
Base-Backbone interact. energy: -0.115
local terms energy: -52.291880
where:
bonds (distance) C4'-P energy: -16.050
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -5.384
tors. eta vs tors. theta energy: -3.526
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: 10
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -158.526490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.526490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.526490 (E_RNA)
where:
Base-Base interactions energy: -92.785
where: short stacking energy: -47.224
Base-Backbone interact. energy: -0.033
local terms energy: -65.708069
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -8.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -84.805823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.805823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.805823 (E_RNA)
where:
Base-Base interactions energy: -29.906
where: short stacking energy: -28.090
Base-Backbone interact. energy: -0.037
local terms energy: -54.863499
where:
bonds (distance) C4'-P energy: -9.997
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -5.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -224.592192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.592192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.592192 (E_RNA)
where:
Base-Base interactions energy: -146.361
where: short stacking energy: -61.689
Base-Backbone interact. energy: -0.908
local terms energy: -77.323488
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -16.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -241.136428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.136428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.136428 (E_RNA)
where:
Base-Base interactions energy: -171.478
where: short stacking energy: -66.290
Base-Backbone interact. energy: -1.432
local terms energy: -68.226401
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -10.069
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -18.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -208.912088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.912088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.912088 (E_RNA)
where:
Base-Base interactions energy: -127.991
where: short stacking energy: -62.832
Base-Backbone interact. energy: -0.001
local terms energy: -80.920894
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -21.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -215.922809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.922809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.922809 (E_RNA)
where:
Base-Base interactions energy: -141.753
where: short stacking energy: -61.209
Base-Backbone interact. energy: -0.309
local terms energy: -73.860396
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -15.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -195.220551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.220551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.220551 (E_RNA)
where:
Base-Base interactions energy: -117.961
where: short stacking energy: -68.509
Base-Backbone interact. energy: -0.047
local terms energy: -77.212974
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -10.994
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: 7
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -120.000754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.000754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.000754 (E_RNA)
where:
Base-Base interactions energy: -52.615
where: short stacking energy: -43.159
Base-Backbone interact. energy: -0.901
local terms energy: -66.485216
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -11.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -106.020962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.020962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.020962 (E_RNA)
where:
Base-Base interactions energy: -43.196
where: short stacking energy: -41.423
Base-Backbone interact. energy: -0.098
local terms energy: -62.727096
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -3.295
tors. eta vs tors. theta energy: -11.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -99.729290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.729290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.729290 (E_RNA)
where:
Base-Base interactions energy: -40.304
where: short stacking energy: -31.755
Base-Backbone interact. energy: -0.796
local terms energy: -58.629417
where:
bonds (distance) C4'-P energy: -9.533
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -7.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -86.391613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.391613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.391613 (E_RNA)
where:
Base-Base interactions energy: -30.279
where: short stacking energy: -27.543
Base-Backbone interact. energy: -0.095
local terms energy: -56.017154
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -4.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -95.503824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.503824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.503824 (E_RNA)
where:
Base-Base interactions energy: -42.560
where: short stacking energy: -42.560
Base-Backbone interact. energy: -0.105
local terms energy: -52.839189
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -13.794
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -242.327206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.327206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.327206 (E_RNA)
where:
Base-Base interactions energy: -169.898
where: short stacking energy: -58.119
Base-Backbone interact. energy: -0.711
local terms energy: -71.718268
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -18.735
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -8.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -217.263837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.263837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.263837 (E_RNA)
where:
Base-Base interactions energy: -138.286
where: short stacking energy: -61.503
Base-Backbone interact. energy: -0.339
local terms energy: -78.639284
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -18.862
flat angles P-C4'-P energy: -13.128
tors. eta vs tors. theta energy: -14.051
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: 3, replica: 1
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -214.819469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.819469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.819469 (E_RNA)
where:
Base-Base interactions energy: -137.177
where: short stacking energy: -63.074
Base-Backbone interact. energy: -0.148
local terms energy: -77.494714
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -12.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -206.502009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.502009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.502009 (E_RNA)
where:
Base-Base interactions energy: -129.994
where: short stacking energy: -63.660
Base-Backbone interact. energy: -0.097
local terms energy: -76.411036
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -18.630
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: 2
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -194.662803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.662803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.662803 (E_RNA)
where:
Base-Base interactions energy: -134.547
where: short stacking energy: -40.190
Base-Backbone interact. energy: -0.226
local terms energy: -59.889113
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -17.409
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: -4.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -95.879274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.879274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.879274 (E_RNA)
where:
Base-Base interactions energy: -40.452
where: short stacking energy: -38.346
Base-Backbone interact. energy: -0.075
local terms energy: -55.352287
where:
bonds (distance) C4'-P energy: -16.163
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -10.785
flat angles P-C4'-P energy: -2.016
tors. eta vs tors. theta energy: -9.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -116.105097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.105097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.105097 (E_RNA)
where:
Base-Base interactions energy: -58.416
where: short stacking energy: -37.447
Base-Backbone interact. energy: -1.054
local terms energy: -56.634646
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -8.509
flat angles C4'-P-C4' energy: -18.577
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -9.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -85.878875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.878875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.878875 (E_RNA)
where:
Base-Base interactions energy: -33.305
where: short stacking energy: -33.235
Base-Backbone interact. energy: -0.230
local terms energy: -52.344384
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -7.985
flat angles C4'-P-C4' energy: -11.208
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -6.421
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: 9, replica: 9
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -84.411518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.411518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.411518 (E_RNA)
where:
Base-Base interactions energy: -23.775
where: short stacking energy: -23.775
Base-Backbone interact. energy: -1.086
local terms energy: -59.549781
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -1.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -73.527375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.527375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.527375 (E_RNA)
where:
Base-Base interactions energy: -25.778
where: short stacking energy: -25.565
Base-Backbone interact. energy: -0.117
local terms energy: -47.632705
where:
bonds (distance) C4'-P energy: -7.997
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: 4.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -243.175324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.175324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.175324 (E_RNA)
where:
Base-Base interactions energy: -165.440
where: short stacking energy: -64.566
Base-Backbone interact. energy: -0.433
local terms energy: -77.302602
where:
bonds (distance) C4'-P energy: -17.781
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -15.422
tors. eta vs tors. theta energy: -12.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -227.019484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.019484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.019484 (E_RNA)
where:
Base-Base interactions energy: -147.818
where: short stacking energy: -70.124
Base-Backbone interact. energy: -0.602
local terms energy: -78.599161
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -11.373
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: 3, replica: 1
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -193.789140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.789140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.789140 (E_RNA)
where:
Base-Base interactions energy: -124.125
where: short stacking energy: -57.885
Base-Backbone interact. energy: -0.547
local terms energy: -69.117041
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -11.378
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: 4, replica: 2
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -192.954198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.954198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.954198 (E_RNA)
where:
Base-Base interactions energy: -113.471
where: short stacking energy: -64.969
Base-Backbone interact. energy: -0.297
local terms energy: -79.186950
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -19.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -203.085205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.085205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.085205 (E_RNA)
where:
Base-Base interactions energy: -128.788
where: short stacking energy: -74.483
Base-Backbone interact. energy: 0.599
local terms energy: -74.895981
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -9.368
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: 6, replica: 10
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -115.801494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.801494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.801494 (E_RNA)
where:
Base-Base interactions energy: -47.396
where: short stacking energy: -41.862
Base-Backbone interact. energy: -0.036
local terms energy: -68.369189
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -11.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -105.598666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.598666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.598666 (E_RNA)
where:
Base-Base interactions energy: -49.920
where: short stacking energy: -35.406
Base-Backbone interact. energy: -0.042
local terms energy: -55.636822
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -5.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -96.720780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.720780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.720780 (E_RNA)
where:
Base-Base interactions energy: -39.480
where: short stacking energy: -28.803
Base-Backbone interact. energy: -0.579
local terms energy: -56.661438
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -3.044
tors. eta vs tors. theta energy: -5.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -96.262599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.262599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.262599 (E_RNA)
where:
Base-Base interactions energy: -37.816
where: short stacking energy: -22.449
Base-Backbone interact. energy: -0.090
local terms energy: -58.356605
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: -4.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -83.176761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.176761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.176761 (E_RNA)
where:
Base-Base interactions energy: -34.174
where: short stacking energy: -27.343
Base-Backbone interact. energy: 0.955
local terms energy: -49.957680
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -2.663
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: 1, replica: 5
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -245.263789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.263789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.263789 (E_RNA)
where:
Base-Base interactions energy: -164.684
where: short stacking energy: -67.465
Base-Backbone interact. energy: -0.456
local terms energy: -80.124084
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -19.266
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -13.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -230.004769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.004769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.004769 (E_RNA)
where:
Base-Base interactions energy: -157.613
where: short stacking energy: -65.296
Base-Backbone interact. energy: -0.694
local terms energy: -71.697945
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -10.112
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: 2
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -208.473862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.473862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.473862 (E_RNA)
where:
Base-Base interactions energy: -125.761
where: short stacking energy: -75.835
Base-Backbone interact. energy: -0.031
local terms energy: -82.681706
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -21.957
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: 1
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -192.607523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.607523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.607523 (E_RNA)
where:
Base-Base interactions energy: -114.846
where: short stacking energy: -66.235
Base-Backbone interact. energy: -0.129
local terms energy: -77.632260
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -16.556
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -17.800
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: 4
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -187.477944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.477944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.477944 (E_RNA)
where:
Base-Base interactions energy: -105.464
where: short stacking energy: -57.394
Base-Backbone interact. energy: -0.028
local terms energy: -81.985968
where:
bonds (distance) C4'-P energy: -17.400
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -19.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -110.779783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.779783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.779783 (E_RNA)
where:
Base-Base interactions energy: -51.051
where: short stacking energy: -45.219
Base-Backbone interact. energy: -1.062
local terms energy: -58.667222
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -6.452
tors. eta vs tors. theta energy: -10.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -97.897036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.897036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.897036 (E_RNA)
where:
Base-Base interactions energy: -45.769
where: short stacking energy: -29.865
Base-Backbone interact. energy: -0.180
local terms energy: -51.948394
where:
bonds (distance) C4'-P energy: -9.949
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -11.046
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -7.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -93.103420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.103420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.103420 (E_RNA)
where:
Base-Base interactions energy: -43.927
where: short stacking energy: -39.826
Base-Backbone interact. energy: -0.439
local terms energy: -48.737970
where:
bonds (distance) C4'-P energy: -8.616
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -11.937
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: 8
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -84.798774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.798774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.798774 (E_RNA)
where:
Base-Base interactions energy: -28.747
where: short stacking energy: -26.779
Base-Backbone interact. energy: -0.049
local terms energy: -56.002635
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -6.972
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: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -81.137663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.137663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.137663 (E_RNA)
where:
Base-Base interactions energy: -30.835
where: short stacking energy: -28.195
Base-Backbone interact. energy: -0.306
local terms energy: -49.996633
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -9.365
flat angles P-C4'-P energy: -6.736
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: 5
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -237.262254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.262254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.262254 (E_RNA)
where:
Base-Base interactions energy: -158.345
where: short stacking energy: -60.333
Base-Backbone interact. energy: -1.344
local terms energy: -77.573617
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -12.719
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: 2, replica: 3
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -220.250379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.250379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.250379 (E_RNA)
where:
Base-Base interactions energy: -144.892
where: short stacking energy: -54.384
Base-Backbone interact. energy: -0.370
local terms energy: -74.987589
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -16.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -209.870296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.870296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.870296 (E_RNA)
where:
Base-Base interactions energy: -133.219
where: short stacking energy: -62.731
Base-Backbone interact. energy: -0.299
local terms energy: -76.352297
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -18.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -192.166647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.166647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.166647 (E_RNA)
where:
Base-Base interactions energy: -117.405
where: short stacking energy: -66.375
Base-Backbone interact. energy: -1.364
local terms energy: -73.397185
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -9.219
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: 5, replica: 1
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -204.604926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.604926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.604926 (E_RNA)
where:
Base-Base interactions energy: -135.390
where: short stacking energy: -70.024
Base-Backbone interact. energy: -0.076
local terms energy: -69.139135
where:
bonds (distance) C4'-P energy: -10.147
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -18.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -111.729288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.729288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.729288 (E_RNA)
where:
Base-Base interactions energy: -50.954
where: short stacking energy: -43.037
Base-Backbone interact. energy: -0.722
local terms energy: -60.052837
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -9.069
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: 7, replica: 9
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -95.245401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.245401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.245401 (E_RNA)
where:
Base-Base interactions energy: -27.778
where: short stacking energy: -27.109
Base-Backbone interact. energy: -1.555
local terms energy: -65.912014
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -5.147
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: 7
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -102.312742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.312742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.312742 (E_RNA)
where:
Base-Base interactions energy: -46.622
where: short stacking energy: -27.511
Base-Backbone interact. energy: -0.315
local terms energy: -55.376067
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -7.938
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: 9, replica: 8
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -82.487542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.487542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.487542 (E_RNA)
where:
Base-Base interactions energy: -33.096
where: short stacking energy: -27.185
Base-Backbone interact. energy: 0.060
local terms energy: -49.451579
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -11.800
flat angles C4'-P-C4' energy: -9.315
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -3.661
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: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -91.310243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.310243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.310243 (E_RNA)
where:
Base-Base interactions energy: -26.583
where: short stacking energy: -25.403
Base-Backbone interact. energy: -0.065
local terms energy: -64.662536
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -16.767
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -7.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -243.651213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.651213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.651213 (E_RNA)
where:
Base-Base interactions energy: -162.483
where: short stacking energy: -65.818
Base-Backbone interact. energy: -1.118
local terms energy: -80.050328
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -12.525
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: 2, replica: 3
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -223.534519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.534519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.534519 (E_RNA)
where:
Base-Base interactions energy: -145.482
where: short stacking energy: -63.784
Base-Backbone interact. energy: -0.362
local terms energy: -77.690979
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -12.216
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: 266
Temperature: 1.000000
Total energy: -205.071680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.071680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.071680 (E_RNA)
where:
Base-Base interactions energy: -128.050
where: short stacking energy: -64.178
Base-Backbone interact. energy: -0.018
local terms energy: -77.003485
where:
bonds (distance) C4'-P energy: -18.257
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -12.078
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -18.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -203.916596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.916596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.916596 (E_RNA)
where:
Base-Base interactions energy: -130.585
where: short stacking energy: -68.981
Base-Backbone interact. energy: 0.575
local terms energy: -73.905733
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -18.211
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -15.336
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: 266
Temperature: 1.100000
Total energy: -203.424972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.424972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.424972 (E_RNA)
where:
Base-Base interactions energy: -127.243
where: short stacking energy: -63.868
Base-Backbone interact. energy: -0.094
local terms energy: -76.087482
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -17.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -122.058102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.058102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.058102 (E_RNA)
where:
Base-Base interactions energy: -62.337
where: short stacking energy: -41.563
Base-Backbone interact. energy: -0.104
local terms energy: -59.617257
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -7.463
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: 7, replica: 7
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -101.114222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.114222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.114222 (E_RNA)
where:
Base-Base interactions energy: -42.821
where: short stacking energy: -40.248
Base-Backbone interact. energy: -0.152
local terms energy: -58.141681
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -10.628
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -9.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -92.664142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.664142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.664142 (E_RNA)
where:
Base-Base interactions energy: -37.277
where: short stacking energy: -19.488
Base-Backbone interact. energy: -0.991
local terms energy: -54.395584
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -11.766
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -10.048
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: 9, replica: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -83.815830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.815830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.815830 (E_RNA)
where:
Base-Base interactions energy: -29.686
where: short stacking energy: -27.635
Base-Backbone interact. energy: 4.446
local terms energy: -58.576200
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -4.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -76.633446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.633446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.633446 (E_RNA)
where:
Base-Base interactions energy: -29.234
where: short stacking energy: -26.579
Base-Backbone interact. energy: 0.985
local terms energy: -48.384514
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: 2.105
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: 5
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -243.992753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.992753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.992753 (E_RNA)
where:
Base-Base interactions energy: -166.182
where: short stacking energy: -69.256
Base-Backbone interact. energy: -1.270
local terms energy: -76.540881
where:
bonds (distance) C4'-P energy: -11.380
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -15.447
tors. eta vs tors. theta energy: -16.593
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: 3
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -224.559878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.559878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.559878 (E_RNA)
where:
Base-Base interactions energy: -157.087
where: short stacking energy: -63.473
Base-Backbone interact. energy: -1.004
local terms energy: -66.469205
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -11.960
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -14.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -200.834040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.834040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.834040 (E_RNA)
where:
Base-Base interactions energy: -126.109
where: short stacking energy: -63.637
Base-Backbone interact. energy: -0.198
local terms energy: -74.526701
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -14.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -183.478786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.478786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.478786 (E_RNA)
where:
Base-Base interactions energy: -111.595
where: short stacking energy: -55.574
Base-Backbone interact. energy: 0.640
local terms energy: -72.523896
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -8.778
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: 1
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -181.021131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.021131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.021131 (E_RNA)
where:
Base-Base interactions energy: -112.126
where: short stacking energy: -60.562
Base-Backbone interact. energy: -0.230
local terms energy: -68.664944
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -8.709
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: 6, replica: 7
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -98.781747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.781747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.781747 (E_RNA)
where:
Base-Base interactions energy: -28.937
where: short stacking energy: -26.157
Base-Backbone interact. energy: -0.013
local terms energy: -69.832502
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -9.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -104.879672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.879672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.879672 (E_RNA)
where:
Base-Base interactions energy: -40.550
where: short stacking energy: -39.647
Base-Backbone interact. energy: -0.002
local terms energy: -64.328144
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -17.581
flat angles C4'-P-C4' energy: -11.244
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -10.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -92.989659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.989659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.989659 (E_RNA)
where:
Base-Base interactions energy: -41.152
where: short stacking energy: -29.701
Base-Backbone interact. energy: -0.008
local terms energy: -51.829729
where:
bonds (distance) C4'-P energy: -10.834
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -0.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -92.384982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.384982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.384982 (E_RNA)
where:
Base-Base interactions energy: -37.565
where: short stacking energy: -25.156
Base-Backbone interact. energy: -0.821
local terms energy: -53.998432
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: 1.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -96.688338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.688338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.688338 (E_RNA)
where:
Base-Base interactions energy: -40.110
where: short stacking energy: -39.924
Base-Backbone interact. energy: -0.005
local terms energy: -56.572819
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -3.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -230.126094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.126094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.126094 (E_RNA)
where:
Base-Base interactions energy: -143.020
where: short stacking energy: -68.816
Base-Backbone interact. energy: -0.869
local terms energy: -86.236635
where:
bonds (distance) C4'-P energy: -19.544
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -18.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -236.716743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.716743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.716743 (E_RNA)
where:
Base-Base interactions energy: -155.152
where: short stacking energy: -62.062
Base-Backbone interact. energy: -0.655
local terms energy: -80.909885
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -20.240
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -15.618
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: 4
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -201.725884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.725884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.725884 (E_RNA)
where:
Base-Base interactions energy: -126.007
where: short stacking energy: -67.052
Base-Backbone interact. energy: -0.161
local terms energy: -75.558115
where:
bonds (distance) C4'-P energy: -18.324
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -9.325
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: 4, replica: 2
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -200.049529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.049529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.049529 (E_RNA)
where:
Base-Base interactions energy: -118.826
where: short stacking energy: -60.768
Base-Backbone interact. energy: -0.550
local terms energy: -80.673437
where:
bonds (distance) C4'-P energy: -17.085
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -18.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -170.899379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.899379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.899379 (E_RNA)
where:
Base-Base interactions energy: -102.880
where: short stacking energy: -57.824
Base-Backbone interact. energy: -0.479
local terms energy: -67.541009
where:
bonds (distance) C4'-P energy: -9.762
bonds (distance) P-C4' energy: -16.351
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -14.678
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: 6, replica: 7
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -104.732562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.732562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.732562 (E_RNA)
where:
Base-Base interactions energy: -47.149
where: short stacking energy: -37.841
Base-Backbone interact. energy: 0.419
local terms energy: -58.002567
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -11.354
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: 7, replica: 6
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -98.173825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.173825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.173825 (E_RNA)
where:
Base-Base interactions energy: -39.668
where: short stacking energy: -39.668
Base-Backbone interact. energy: -0.074
local terms energy: -58.431522
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -8.090
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: 8, replica: 10
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -94.092412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.092412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.092412 (E_RNA)
where:
Base-Base interactions energy: -28.342
where: short stacking energy: -27.804
Base-Backbone interact. energy: -0.053
local terms energy: -65.697275
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -7.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -83.228739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.228739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.228739 (E_RNA)
where:
Base-Base interactions energy: -30.509
where: short stacking energy: -27.677
Base-Backbone interact. energy: -0.688
local terms energy: -52.031269
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -9.034
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -3.174
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: 10, replica: 9
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -92.164013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.164013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.164013 (E_RNA)
where:
Base-Base interactions energy: -38.034
where: short stacking energy: -22.729
Base-Backbone interact. energy: -0.218
local terms energy: -53.912400
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -1.480
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: 1, replica: 3
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -233.433484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.433484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.433484 (E_RNA)
where:
Base-Base interactions energy: -156.577
where: short stacking energy: -62.894
Base-Backbone interact. energy: -0.615
local terms energy: -76.241152
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -13.660
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: 5
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -231.752271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.752271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.752271 (E_RNA)
where:
Base-Base interactions energy: -163.792
where: short stacking energy: -69.667
Base-Backbone interact. energy: 0.531
local terms energy: -68.491677
where:
bonds (distance) C4'-P energy: -9.663
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -12.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -210.422094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.422094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.422094 (E_RNA)
where:
Base-Base interactions energy: -134.998
where: short stacking energy: -79.566
Base-Backbone interact. energy: -0.915
local terms energy: -74.508894
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -23.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -171.876780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.876780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.876780 (E_RNA)
where:
Base-Base interactions energy: -103.389
where: short stacking energy: -49.547
Base-Backbone interact. energy: -0.489
local terms energy: -67.999174
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -7.814
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: 5, replica: 2
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -180.274610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.274610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.274610 (E_RNA)
where:
Base-Base interactions energy: -110.596
where: short stacking energy: -65.554
Base-Backbone interact. energy: -0.014
local terms energy: -69.664601
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -16.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -105.154365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.154365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.154365 (E_RNA)
where:
Base-Base interactions energy: -44.787
where: short stacking energy: -44.787
Base-Backbone interact. energy: -0.590
local terms energy: -59.777114
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -18.430
flat angles C4'-P-C4' energy: -10.517
flat angles P-C4'-P energy: -5.565
tors. eta vs tors. theta energy: -10.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -95.451575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.451575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.451575 (E_RNA)
where:
Base-Base interactions energy: -44.747
where: short stacking energy: -39.888
Base-Backbone interact. energy: -1.198
local terms energy: -49.506832
where:
bonds (distance) C4'-P energy: -8.962
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -8.130
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: 8, replica: 10
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -99.549436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.549436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.549436 (E_RNA)
where:
Base-Base interactions energy: -57.871
where: short stacking energy: -28.374
Base-Backbone interact. energy: 0.200
local terms energy: -41.878939
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -7.061
flat angles P-C4'-P energy: -5.782
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: 9, replica: 8
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -99.474748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.474748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.474748 (E_RNA)
where:
Base-Base interactions energy: -44.940
where: short stacking energy: -31.379
Base-Backbone interact. energy: -0.086
local terms energy: -54.448572
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -9.056
flat angles P-C4'-P energy: -4.243
tors. eta vs tors. theta energy: -7.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -86.346744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.346744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.346744 (E_RNA)
where:
Base-Base interactions energy: -43.544
where: short stacking energy: -32.274
Base-Backbone interact. energy: -0.184
local terms energy: -42.618759
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -8.341
flat angles P-C4'-P energy: -1.860
tors. eta vs tors. theta energy: -0.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -238.515552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.515552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.515552 (E_RNA)
where:
Base-Base interactions energy: -165.638
where: short stacking energy: -60.767
Base-Backbone interact. energy: 0.208
local terms energy: -73.086022
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -14.220
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: 2, replica: 3
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -227.585142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.585142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.585142 (E_RNA)
where:
Base-Base interactions energy: -156.950
where: short stacking energy: -61.363
Base-Backbone interact. energy: -0.957
local terms energy: -69.677577
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -12.308
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -18.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -182.069691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.069691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.069691 (E_RNA)
where:
Base-Base interactions energy: -114.849
where: short stacking energy: -53.315
Base-Backbone interact. energy: -1.137
local terms energy: -66.083022
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -12.219
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: 4, replica: 4
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -212.578865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.578865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.578865 (E_RNA)
where:
Base-Base interactions energy: -129.078
where: short stacking energy: -72.145
Base-Backbone interact. energy: -0.565
local terms energy: -82.935614
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -17.572
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -21.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -182.448791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.448791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.448791 (E_RNA)
where:
Base-Base interactions energy: -111.456
where: short stacking energy: -66.047
Base-Backbone interact. energy: -0.132
local terms energy: -70.860584
where:
bonds (distance) C4'-P energy: -12.444
bonds (distance) P-C4' energy: -18.470
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -7.042
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: 6
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -103.465462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.465462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.465462 (E_RNA)
where:
Base-Base interactions energy: -48.025
where: short stacking energy: -47.289
Base-Backbone interact. energy: -0.101
local terms energy: -55.339143
where:
bonds (distance) C4'-P energy: -8.093
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -6.476
tors. eta vs tors. theta energy: -9.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -117.763896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.763896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.763896 (E_RNA)
where:
Base-Base interactions energy: -67.713
where: short stacking energy: -36.685
Base-Backbone interact. energy: -0.336
local terms energy: -49.714999
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -11.599
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -5.722
tors. eta vs tors. theta energy: -7.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -90.857612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.857612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.857612 (E_RNA)
where:
Base-Base interactions energy: -47.799
where: short stacking energy: -43.429
Base-Backbone interact. energy: -0.307
local terms energy: -42.751270
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -8.532
flat angles P-C4'-P energy: -6.552
tors. eta vs tors. theta energy: -4.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -86.858444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.858444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.858444 (E_RNA)
where:
Base-Base interactions energy: -29.857
where: short stacking energy: -29.287
Base-Backbone interact. energy: 0.579
local terms energy: -57.580567
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -10.226
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: 10, replica: 9
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -98.728681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.728681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.728681 (E_RNA)
where:
Base-Base interactions energy: -39.689
where: short stacking energy: -24.090
Base-Backbone interact. energy: -0.852
local terms energy: -58.187723
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -2.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -236.839094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.839094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.839094 (E_RNA)
where:
Base-Base interactions energy: -165.640
where: short stacking energy: -66.320
Base-Backbone interact. energy: -0.530
local terms energy: -70.668996
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: -15.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -228.148328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.148328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.148328 (E_RNA)
where:
Base-Base interactions energy: -151.598
where: short stacking energy: -58.246
Base-Backbone interact. energy: -0.368
local terms energy: -76.182081
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -16.869
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: 3, replica: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -186.067884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.067884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.067884 (E_RNA)
where:
Base-Base interactions energy: -107.719
where: short stacking energy: -67.558
Base-Backbone interact. energy: -0.012
local terms energy: -78.336425
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -18.573
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -15.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -210.584392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.584392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.584392 (E_RNA)
where:
Base-Base interactions energy: -138.542
where: short stacking energy: -62.816
Base-Backbone interact. energy: -1.574
local terms energy: -70.468178
where:
bonds (distance) C4'-P energy: -15.699
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -13.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -179.499797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.499797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.499797 (E_RNA)
where:
Base-Base interactions energy: -103.564
where: short stacking energy: -47.916
Base-Backbone interact. energy: -0.425
local terms energy: -75.510274
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -17.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -156.921059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.921059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.921059 (E_RNA)
where:
Base-Base interactions energy: -97.112
where: short stacking energy: -53.635
Base-Backbone interact. energy: -0.602
local terms energy: -59.206820
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -11.206
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -10.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -104.513549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.513549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.513549 (E_RNA)
where:
Base-Base interactions energy: -39.145
where: short stacking energy: -39.145
Base-Backbone interact. energy: -0.859
local terms energy: -64.510129
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -11.971
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -11.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -95.761000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.761000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.761000 (E_RNA)
where:
Base-Base interactions energy: -37.121
where: short stacking energy: -36.429
Base-Backbone interact. energy: 0.019
local terms energy: -58.659469
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -8.777
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: 9, replica: 8
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -134.631051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.631051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.631051 (E_RNA)
where:
Base-Base interactions energy: -81.885
where: short stacking energy: -47.480
Base-Backbone interact. energy: -0.375
local terms energy: -52.371228
where:
bonds (distance) C4'-P energy: -10.987
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: 0.409
tors. eta vs tors. theta energy: -10.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -90.361378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.361378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.361378 (E_RNA)
where:
Base-Base interactions energy: -43.460
where: short stacking energy: -26.988
Base-Backbone interact. energy: -1.828
local terms energy: -45.073557
where:
bonds (distance) C4'-P energy: -6.257
bonds (distance) P-C4' energy: -11.064
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -5.586
tors. eta vs tors. theta energy: -6.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -232.741555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.741555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.741555 (E_RNA)
where:
Base-Base interactions energy: -149.710
where: short stacking energy: -62.686
Base-Backbone interact. energy: -0.886
local terms energy: -82.145794
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -12.657
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: 2, replica: 5
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -235.579454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.579454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.579454 (E_RNA)
where:
Base-Base interactions energy: -157.116
where: short stacking energy: -60.195
Base-Backbone interact. energy: -1.164
local terms energy: -77.299571
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -14.364
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: 3, replica: 2
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -202.058759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.058759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.058759 (E_RNA)
where:
Base-Base interactions energy: -132.579
where: short stacking energy: -58.017
Base-Backbone interact. energy: -0.545
local terms energy: -68.935118
where:
bonds (distance) C4'-P energy: -18.771
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -5.388
tors. eta vs tors. theta energy: -13.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -176.786587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.786587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.786587 (E_RNA)
where:
Base-Base interactions energy: -103.143
where: short stacking energy: -62.663
Base-Backbone interact. energy: 0.254
local terms energy: -73.897825
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -15.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -156.588603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.588603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.588603 (E_RNA)
where:
Base-Base interactions energy: -93.166
where: short stacking energy: -52.457
Base-Backbone interact. energy: -0.550
local terms energy: -62.872884
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -8.112
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: 4
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -187.287507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.287507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.287507 (E_RNA)
where:
Base-Base interactions energy: -113.984
where: short stacking energy: -57.015
Base-Backbone interact. energy: -0.787
local terms energy: -72.516610
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -14.419
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -14.264
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: 6
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -113.158226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.158226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.158226 (E_RNA)
where:
Base-Base interactions energy: -61.695
where: short stacking energy: -53.307
Base-Backbone interact. energy: -0.053
local terms energy: -51.409738
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -6.033
tors. eta vs tors. theta energy: -6.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -105.871179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.871179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.871179 (E_RNA)
where:
Base-Base interactions energy: -37.771
where: short stacking energy: -28.952
Base-Backbone interact. energy: -1.599
local terms energy: -66.500982
where:
bonds (distance) C4'-P energy: -18.976
bonds (distance) P-C4' energy: -17.276
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -2.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -95.030236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.030236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.030236 (E_RNA)
where:
Base-Base interactions energy: -36.908
where: short stacking energy: -35.897
Base-Backbone interact. energy: -0.246
local terms energy: -57.876774
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -6.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -82.296008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.296008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.296008 (E_RNA)
where:
Base-Base interactions energy: -30.216
where: short stacking energy: -24.695
Base-Backbone interact. energy: -0.211
local terms energy: -51.869196
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -10.603
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -1.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -233.142150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.142150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.142150 (E_RNA)
where:
Base-Base interactions energy: -159.970
where: short stacking energy: -66.010
Base-Backbone interact. energy: -0.798
local terms energy: -72.373644
where:
bonds (distance) C4'-P energy: -7.985
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -12.565
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: 2, replica: 2
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -211.547027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.547027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.547027 (E_RNA)
where:
Base-Base interactions energy: -131.262
where: short stacking energy: -69.599
Base-Backbone interact. energy: -0.241
local terms energy: -80.044763
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -18.276
flat angles P-C4'-P energy: -13.658
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: 3, replica: 5
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -220.737656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.737656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.737656 (E_RNA)
where:
Base-Base interactions energy: -152.366
where: short stacking energy: -56.245
Base-Backbone interact. energy: -0.706
local terms energy: -67.665798
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -19.370
flat angles C4'-P-C4' energy: -17.747
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -9.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -159.469045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.469045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.469045 (E_RNA)
where:
Base-Base interactions energy: -86.074
where: short stacking energy: -38.081
Base-Backbone interact. energy: 0.400
local terms energy: -73.794843
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -20.351
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -11.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -179.056766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.056766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.056766 (E_RNA)
where:
Base-Base interactions energy: -107.137
where: short stacking energy: -55.120
Base-Backbone interact. energy: -0.003
local terms energy: -71.917217
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -17.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -177.774848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.774848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.774848 (E_RNA)
where:
Base-Base interactions energy: -111.355
where: short stacking energy: -57.609
Base-Backbone interact. energy: -0.172
local terms energy: -66.248004
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -5.461
tors. eta vs tors. theta energy: -15.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -99.923993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.923993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.923993 (E_RNA)
where:
Base-Base interactions energy: -42.499
where: short stacking energy: -42.499
Base-Backbone interact. energy: -0.031
local terms energy: -57.393075
where:
bonds (distance) C4'-P energy: -10.065
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -11.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -97.806126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.806126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.806126 (E_RNA)
where:
Base-Base interactions energy: -55.540
where: short stacking energy: -32.942
Base-Backbone interact. energy: -0.160
local terms energy: -42.106515
where:
bonds (distance) C4'-P energy: -8.629
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -5.526
tors. eta vs tors. theta energy: -1.355
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: 9, replica: 7
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -96.406247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.406247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.406247 (E_RNA)
where:
Base-Base interactions energy: -38.359
where: short stacking energy: -16.282
Base-Backbone interact. energy: -0.219
local terms energy: -57.828623
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -14.158
tors. eta vs tors. theta energy: -1.004
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: 8
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -89.752490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.752490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.752490 (E_RNA)
where:
Base-Base interactions energy: -33.520
where: short stacking energy: -23.424
Base-Backbone interact. energy: -0.429
local terms energy: -55.803770
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -6.291
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -5.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -219.485002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.485002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.485002 (E_RNA)
where:
Base-Base interactions energy: -136.087
where: short stacking energy: -78.792
Base-Backbone interact. energy: -0.001
local terms energy: -83.396698
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -21.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -232.523022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.523022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.523022 (E_RNA)
where:
Base-Base interactions energy: -148.939
where: short stacking energy: -54.414
Base-Backbone interact. energy: -0.235
local terms energy: -83.348674
where:
bonds (distance) C4'-P energy: -18.575
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -16.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -231.336162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.336162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.336162 (E_RNA)
where:
Base-Base interactions energy: -152.871
where: short stacking energy: -56.984
Base-Backbone interact. energy: -1.895
local terms energy: -76.570100
where:
bonds (distance) C4'-P energy: -18.621
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -18.123
flat angles P-C4'-P energy: -13.996
tors. eta vs tors. theta energy: -7.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -184.175680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.175680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.175680 (E_RNA)
where:
Base-Base interactions energy: -117.230
where: short stacking energy: -63.302
Base-Backbone interact. energy: 0.774
local terms energy: -67.720081
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -9.067
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: 4
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -171.218256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.218256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.218256 (E_RNA)
where:
Base-Base interactions energy: -104.255
where: short stacking energy: -50.279
Base-Backbone interact. energy: 1.100
local terms energy: -68.062802
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -17.572
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -13.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -174.511759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.511759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.511759 (E_RNA)
where:
Base-Base interactions energy: -98.780
where: short stacking energy: -44.092
Base-Backbone interact. energy: -0.468
local terms energy: -75.263331
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -12.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -111.446328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.446328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.446328 (E_RNA)
where:
Base-Base interactions energy: -48.881
where: short stacking energy: -46.933
Base-Backbone interact. energy: -0.475
local terms energy: -62.090444
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -6.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -95.890673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.890673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.890673 (E_RNA)
where:
Base-Base interactions energy: -35.400
where: short stacking energy: -35.031
Base-Backbone interact. energy: -0.101
local terms energy: -60.389861
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -4.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -83.579274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.579274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.579274 (E_RNA)
where:
Base-Base interactions energy: -33.720
where: short stacking energy: -31.995
Base-Backbone interact. energy: -0.201
local terms energy: -49.658497
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -1.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -79.419372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.419372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.419372 (E_RNA)
where:
Base-Base interactions energy: -35.621
where: short stacking energy: -28.251
Base-Backbone interact. energy: -0.084
local terms energy: -43.713924
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -11.069
flat angles P-C4'-P energy: -3.793
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: 2
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -229.639958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.639958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.639958 (E_RNA)
where:
Base-Base interactions energy: -149.234
where: short stacking energy: -74.628
Base-Backbone interact. energy: -0.021
local terms energy: -80.384957
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -23.542
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: 2, replica: 3
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -227.127915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.127915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.127915 (E_RNA)
where:
Base-Base interactions energy: -148.916
where: short stacking energy: -59.497
Base-Backbone interact. energy: -0.498
local terms energy: -77.713673
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -20.585
flat angles P-C4'-P energy: -10.612
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: 3, replica: 5
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -230.619017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.619017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.619017 (E_RNA)
where:
Base-Base interactions energy: -156.924
where: short stacking energy: -65.432
Base-Backbone interact. energy: -0.308
local terms energy: -73.387826
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -10.304
tors. eta vs tors. theta energy: -14.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -176.902564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.902564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.902564 (E_RNA)
where:
Base-Base interactions energy: -105.757
where: short stacking energy: -56.113
Base-Backbone interact. energy: -0.229
local terms energy: -70.917045
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -12.394
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: 4
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -198.216476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.216476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.216476 (E_RNA)
where:
Base-Base interactions energy: -134.299
where: short stacking energy: -74.723
Base-Backbone interact. energy: -0.070
local terms energy: -63.847215
where:
bonds (distance) C4'-P energy: -10.477
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -5.624
tors. eta vs tors. theta energy: -19.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -208.373868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.373868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.373868 (E_RNA)
where:
Base-Base interactions energy: -130.490
where: short stacking energy: -63.480
Base-Backbone interact. energy: -0.307
local terms energy: -77.576955
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -21.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -102.534830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.534830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.534830 (E_RNA)
where:
Base-Base interactions energy: -45.321
where: short stacking energy: -25.873
Base-Backbone interact. energy: -0.855
local terms energy: -56.359191
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -6.037
tors. eta vs tors. theta energy: -6.786
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: 8
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -90.477150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.477150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.477150 (E_RNA)
where:
Base-Base interactions energy: -43.385
where: short stacking energy: -28.350
Base-Backbone interact. energy: -0.118
local terms energy: -46.974359
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -0.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -98.562943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.562943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.562943 (E_RNA)
where:
Base-Base interactions energy: -33.841
where: short stacking energy: -33.841
Base-Backbone interact. energy: -0.467
local terms energy: -64.255158
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -9.976
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -9.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -75.848378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.848378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.848378 (E_RNA)
where:
Base-Base interactions energy: -25.753
where: short stacking energy: -21.387
Base-Backbone interact. energy: -0.315
local terms energy: -49.780226
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -9.622
flat angles P-C4'-P energy: -5.468
tors. eta vs tors. theta energy: -4.274
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: 2
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -238.394615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.394615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.394615 (E_RNA)
where:
Base-Base interactions energy: -155.326
where: short stacking energy: -77.577
Base-Backbone interact. energy: -0.244
local terms energy: -82.825228
where:
bonds (distance) C4'-P energy: -18.738
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -21.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -228.110497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.110497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.110497 (E_RNA)
where:
Base-Base interactions energy: -144.887
where: short stacking energy: -67.816
Base-Backbone interact. energy: -1.227
local terms energy: -81.995928
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -11.303
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: 3, replica: 5
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -229.868533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.868533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.868533 (E_RNA)
where:
Base-Base interactions energy: -153.663
where: short stacking energy: -76.026
Base-Backbone interact. energy: -0.210
local terms energy: -75.996499
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -15.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -191.874245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.874245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.874245 (E_RNA)
where:
Base-Base interactions energy: -109.791
where: short stacking energy: -41.094
Base-Backbone interact. energy: -0.163
local terms energy: -81.919397
where:
bonds (distance) C4'-P energy: -17.866
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -19.353
flat angles P-C4'-P energy: -14.724
tors. eta vs tors. theta energy: -11.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -199.226461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.226461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.226461 (E_RNA)
where:
Base-Base interactions energy: -127.161
where: short stacking energy: -55.908
Base-Backbone interact. energy: -1.174
local terms energy: -70.891986
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -13.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -192.269930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.269930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.269930 (E_RNA)
where:
Base-Base interactions energy: -120.312
where: short stacking energy: -63.548
Base-Backbone interact. energy: -0.156
local terms energy: -71.801340
where:
bonds (distance) C4'-P energy: -18.790
bonds (distance) P-C4' energy: -9.725
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -13.881
tors. eta vs tors. theta energy: -15.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -104.833954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.833954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.833954 (E_RNA)
where:
Base-Base interactions energy: -50.039
where: short stacking energy: -42.508
Base-Backbone interact. energy: -1.313
local terms energy: -53.482104
where:
bonds (distance) C4'-P energy: -9.061
bonds (distance) P-C4' energy: -15.781
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -10.694
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: 8, replica: 9
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -95.146443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.146443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.146443 (E_RNA)
where:
Base-Base interactions energy: -42.588
where: short stacking energy: -42.588
Base-Backbone interact. energy: -0.062
local terms energy: -52.496807
where:
bonds (distance) C4'-P energy: -11.546
bonds (distance) P-C4' energy: -17.832
flat angles C4'-P-C4' energy: -9.706
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -1.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -81.740602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.740602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.740602 (E_RNA)
where:
Base-Base interactions energy: -42.168
where: short stacking energy: -36.589
Base-Backbone interact. energy: -0.299
local terms energy: -39.273589
where:
bonds (distance) C4'-P energy: -11.347
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -4.348
flat angles P-C4'-P energy: -3.943
tors. eta vs tors. theta energy: -3.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -82.685838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.685838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.685838 (E_RNA)
where:
Base-Base interactions energy: -41.509
where: short stacking energy: -22.022
Base-Backbone interact. energy: 0.471
local terms energy: -41.648128
where:
bonds (distance) C4'-P energy: -11.397
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -3.941
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: 1.423
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: 1, replica: 2
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -232.887724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.887724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.887724 (E_RNA)
where:
Base-Base interactions energy: -152.219
where: short stacking energy: -69.497
Base-Backbone interact. energy: 0.435
local terms energy: -81.103668
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -20.502
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -19.020
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: 2, replica: 3
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -227.456323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.456323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.456323 (E_RNA)
where:
Base-Base interactions energy: -153.664
where: short stacking energy: -57.181
Base-Backbone interact. energy: -0.131
local terms energy: -73.660812
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -16.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -227.633809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.633809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.633809 (E_RNA)
where:
Base-Base interactions energy: -160.374
where: short stacking energy: -70.180
Base-Backbone interact. energy: -0.122
local terms energy: -67.137255
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -11.585
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: 4, replica: 10
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -195.373574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.373574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.373574 (E_RNA)
where:
Base-Base interactions energy: -126.399
where: short stacking energy: -64.567
Base-Backbone interact. energy: -0.014
local terms energy: -68.961239
where:
bonds (distance) C4'-P energy: -8.711
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -17.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -156.491678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.491678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.491678 (E_RNA)
where:
Base-Base interactions energy: -90.494
where: short stacking energy: -52.270
Base-Backbone interact. energy: -0.052
local terms energy: -65.945693
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -9.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -160.268405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.268405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.268405 (E_RNA)
where:
Base-Base interactions energy: -102.501
where: short stacking energy: -40.749
Base-Backbone interact. energy: -0.370
local terms energy: -57.397754
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -12.450
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -8.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -115.369869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.369869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.369869 (E_RNA)
where:
Base-Base interactions energy: -62.039
where: short stacking energy: -40.678
Base-Backbone interact. energy: 3.933
local terms energy: -57.264478
where:
bonds (distance) C4'-P energy: -9.774
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -9.609
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: 8, replica: 9
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -92.278812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.278812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.278812 (E_RNA)
where:
Base-Base interactions energy: -32.833
where: short stacking energy: -32.833
Base-Backbone interact. energy: 1.339
local terms energy: -60.785314
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -12.506
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -3.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -87.132460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.132460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.132460 (E_RNA)
where:
Base-Base interactions energy: -36.356
where: short stacking energy: -36.356
Base-Backbone interact. energy: -0.811
local terms energy: -49.964993
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -11.064
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -5.795
tors. eta vs tors. theta energy: -4.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -81.592717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.592717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.592717 (E_RNA)
where:
Base-Base interactions energy: -30.494
where: short stacking energy: -27.083
Base-Backbone interact. energy: 0.007
local terms energy: -51.106372
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -10.581
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: 3
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -232.801829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.801829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.801829 (E_RNA)
where:
Base-Base interactions energy: -161.123
where: short stacking energy: -62.217
Base-Backbone interact. energy: -0.116
local terms energy: -71.563652
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -6.576
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: 2, replica: 2
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -220.209993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.209993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.209993 (E_RNA)
where:
Base-Base interactions energy: -147.295
where: short stacking energy: -63.298
Base-Backbone interact. energy: 0.308
local terms energy: -73.222080
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -19.115
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -14.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -238.303926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.303926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.303926 (E_RNA)
where:
Base-Base interactions energy: -168.280
where: short stacking energy: -66.969
Base-Backbone interact. energy: 0.373
local terms energy: -70.397137
where:
bonds (distance) C4'-P energy: -10.714
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -12.029
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: 4, replica: 10
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -200.316655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.316655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.316655 (E_RNA)
where:
Base-Base interactions energy: -126.516
where: short stacking energy: -69.818
Base-Backbone interact. energy: 3.579
local terms energy: -77.379307
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -180.092282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.092282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.092282 (E_RNA)
where:
Base-Base interactions energy: -122.038
where: short stacking energy: -49.386
Base-Backbone interact. energy: -0.058
local terms energy: -57.995748
where:
bonds (distance) C4'-P energy: -12.755
bonds (distance) P-C4' energy: -12.773
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -5.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -178.036225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.036225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.036225 (E_RNA)
where:
Base-Base interactions energy: -110.994
where: short stacking energy: -52.751
Base-Backbone interact. energy: -0.031
local terms energy: -67.010677
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -9.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -95.590319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.590319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.590319 (E_RNA)
where:
Base-Base interactions energy: -30.312
where: short stacking energy: -30.451
Base-Backbone interact. energy: 0.181
local terms energy: -65.459185
where:
bonds (distance) C4'-P energy: -17.227
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -5.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -83.281126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.281126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.281126 (E_RNA)
where:
Base-Base interactions energy: -32.053
where: short stacking energy: -26.256
Base-Backbone interact. energy: 1.584
local terms energy: -52.811916
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -5.103
tors. eta vs tors. theta energy: -0.756
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: 278
Temperature: 1.300000
Total energy: -88.657395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.657395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.657395 (E_RNA)
where:
Base-Base interactions energy: -38.500
where: short stacking energy: -38.500
Base-Backbone interact. energy: -0.265
local terms energy: -49.893031
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -3.816
tors. eta vs tors. theta energy: -2.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -89.385459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.385459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.385459 (E_RNA)
where:
Base-Base interactions energy: -40.696
where: short stacking energy: -32.595
Base-Backbone interact. energy: -1.457
local terms energy: -47.232684
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -12.984
flat angles P-C4'-P energy: -8.569
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: 1, replica: 3
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -242.799987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.799987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.799987 (E_RNA)
where:
Base-Base interactions energy: -163.513
where: short stacking energy: -60.642
Base-Backbone interact. energy: 0.562
local terms energy: -79.848509
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -19.044
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -16.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -238.937097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.937097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.937097 (E_RNA)
where:
Base-Base interactions energy: -160.551
where: short stacking energy: -66.120
Base-Backbone interact. energy: -0.322
local terms energy: -78.064928
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -18.011
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -14.129
tors. eta vs tors. theta energy: -10.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -207.968236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.968236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.968236 (E_RNA)
where:
Base-Base interactions energy: -130.527
where: short stacking energy: -61.072
Base-Backbone interact. energy: -0.032
local terms energy: -77.409390
where:
bonds (distance) C4'-P energy: -18.895
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -17.098
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: 4, replica: 10
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -185.710311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.710311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.710311 (E_RNA)
where:
Base-Base interactions energy: -113.560
where: short stacking energy: -55.463
Base-Backbone interact. energy: -0.083
local terms energy: -72.067291
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -16.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -199.833722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.833722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.833722 (E_RNA)
where:
Base-Base interactions energy: -126.832
where: short stacking energy: -65.894
Base-Backbone interact. energy: -0.233
local terms energy: -72.768126
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -18.698
flat angles P-C4'-P energy: -6.608
tors. eta vs tors. theta energy: -16.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -159.380203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.380203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.380203 (E_RNA)
where:
Base-Base interactions energy: -90.043
where: short stacking energy: -54.034
Base-Backbone interact. energy: -0.168
local terms energy: -69.169681
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -11.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -102.922284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.922284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.922284 (E_RNA)
where:
Base-Base interactions energy: -49.374
where: short stacking energy: -36.333
Base-Backbone interact. energy: -0.298
local terms energy: -53.250342
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -5.760
tors. eta vs tors. theta energy: -3.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -94.762157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.762157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.762157 (E_RNA)
where:
Base-Base interactions energy: -37.507
where: short stacking energy: -37.507
Base-Backbone interact. energy: -0.108
local terms energy: -57.147849
where:
bonds (distance) C4'-P energy: -15.777
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -17.999
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -2.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -87.082259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.082259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.082259 (E_RNA)
where:
Base-Base interactions energy: -28.485
where: short stacking energy: -23.412
Base-Backbone interact. energy: -0.122
local terms energy: -58.475451
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -16.845
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -3.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -92.108000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.108000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.108000 (E_RNA)
where:
Base-Base interactions energy: -38.118
where: short stacking energy: -35.580
Base-Backbone interact. energy: -0.035
local terms energy: -53.954764
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -10.099
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -4.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -244.628365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.628365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.628365 (E_RNA)
where:
Base-Base interactions energy: -172.611
where: short stacking energy: -73.991
Base-Backbone interact. energy: -0.636
local terms energy: -71.381329
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -16.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -232.336513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.336513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.336513 (E_RNA)
where:
Base-Base interactions energy: -158.600
where: short stacking energy: -67.512
Base-Backbone interact. energy: -0.084
local terms energy: -73.652657
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -12.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -216.646985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.646985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.646985 (E_RNA)
where:
Base-Base interactions energy: -140.372
where: short stacking energy: -60.861
Base-Backbone interact. energy: 2.292
local terms energy: -78.567346
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -11.399
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: 4, replica: 10
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -188.997415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.997415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.997415 (E_RNA)
where:
Base-Base interactions energy: -113.428
where: short stacking energy: -45.789
Base-Backbone interact. energy: -1.490
local terms energy: -74.079267
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -15.846
tors. eta vs tors. theta energy: -9.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -184.883363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.883363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.883363 (E_RNA)
where:
Base-Base interactions energy: -115.863
where: short stacking energy: -61.834
Base-Backbone interact. energy: -0.609
local terms energy: -68.411356
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -13.171
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -13.379
tors. eta vs tors. theta energy: -9.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -172.284442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.284442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.284442 (E_RNA)
where:
Base-Base interactions energy: -104.639
where: short stacking energy: -55.846
Base-Backbone interact. energy: -0.160
local terms energy: -67.485528
where:
bonds (distance) C4'-P energy: -9.132
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -15.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -102.838562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.838562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.838562 (E_RNA)
where:
Base-Base interactions energy: -51.278
where: short stacking energy: -45.707
Base-Backbone interact. energy: -0.436
local terms energy: -51.124076
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -10.118
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -8.008
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: 9
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -91.035272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.035272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.035272 (E_RNA)
where:
Base-Base interactions energy: -42.885
where: short stacking energy: -30.654
Base-Backbone interact. energy: -0.140
local terms energy: -48.009998
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -5.609
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: 9, replica: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -86.533955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.533955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.533955 (E_RNA)
where:
Base-Base interactions energy: -36.854
where: short stacking energy: -32.583
Base-Backbone interact. energy: -0.118
local terms energy: -49.561985
where:
bonds (distance) C4'-P energy: -6.587
bonds (distance) P-C4' energy: -19.093
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -5.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -96.044382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.044382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.044382 (E_RNA)
where:
Base-Base interactions energy: -42.037
where: short stacking energy: -37.932
Base-Backbone interact. energy: -0.116
local terms energy: -53.891327
where:
bonds (distance) C4'-P energy: -10.257
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -7.371
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -11.756
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: 1, replica: 5
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -240.800654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.800654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.800654 (E_RNA)
where:
Base-Base interactions energy: -170.902
where: short stacking energy: -71.790
Base-Backbone interact. energy: -0.363
local terms energy: -69.535126
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -15.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -240.609173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.609173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.609173 (E_RNA)
where:
Base-Base interactions energy: -163.181
where: short stacking energy: -66.885
Base-Backbone interact. energy: -1.506
local terms energy: -75.921983
where:
bonds (distance) C4'-P energy: -19.768
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -12.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -212.230923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.230923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.230923 (E_RNA)
where:
Base-Base interactions energy: -136.320
where: short stacking energy: -64.944
Base-Backbone interact. energy: -0.057
local terms energy: -75.854171
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -15.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -186.270209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.270209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.270209 (E_RNA)
where:
Base-Base interactions energy: -115.641
where: short stacking energy: -55.508
Base-Backbone interact. energy: -0.030
local terms energy: -70.598916
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -18.543
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -11.236
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: 5, replica: 1
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -167.478589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.478589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.478589 (E_RNA)
where:
Base-Base interactions energy: -103.223
where: short stacking energy: -57.107
Base-Backbone interact. energy: -1.822
local terms energy: -62.434452
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -17.113
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -10.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -132.481280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.481280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.481280 (E_RNA)
where:
Base-Base interactions energy: -73.131
where: short stacking energy: -43.455
Base-Backbone interact. energy: -1.148
local terms energy: -58.202372
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -11.970
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -8.318
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: 4
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -157.864269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.864269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.864269 (E_RNA)
where:
Base-Base interactions energy: -100.999
where: short stacking energy: -41.283
Base-Backbone interact. energy: 1.451
local terms energy: -58.315628
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -6.414
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: 8, replica: 6
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -101.306296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.306296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.306296 (E_RNA)
where:
Base-Base interactions energy: -41.806
where: short stacking energy: -41.806
Base-Backbone interact. energy: -0.068
local terms energy: -59.432280
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -10.260
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -7.074
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: 9
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -84.130743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.130743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.130743 (E_RNA)
where:
Base-Base interactions energy: -29.073
where: short stacking energy: -29.073
Base-Backbone interact. energy: -0.028
local terms energy: -55.029507
where:
bonds (distance) C4'-P energy: -14.746
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -5.312
tors. eta vs tors. theta energy: -6.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -100.840510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.840510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.840510 (E_RNA)
where:
Base-Base interactions energy: -35.155
where: short stacking energy: -31.284
Base-Backbone interact. energy: -0.229
local terms energy: -65.456106
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -6.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -240.191370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.191370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.191370 (E_RNA)
where:
Base-Base interactions energy: -164.453
where: short stacking energy: -71.944
Base-Backbone interact. energy: -0.487
local terms energy: -75.250598
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -15.478
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: 3
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -239.406263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.406263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.406263 (E_RNA)
where:
Base-Base interactions energy: -164.265
where: short stacking energy: -66.297
Base-Backbone interact. energy: -0.133
local terms energy: -75.007737
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -17.540
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -11.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -202.123449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.123449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.123449 (E_RNA)
where:
Base-Base interactions energy: -122.915
where: short stacking energy: -61.141
Base-Backbone interact. energy: -0.119
local terms energy: -79.089578
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -17.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -192.887804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.887804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.887804 (E_RNA)
where:
Base-Base interactions energy: -118.542
where: short stacking energy: -64.408
Base-Backbone interact. energy: -0.047
local terms energy: -74.299009
where:
bonds (distance) C4'-P energy: -11.989
bonds (distance) P-C4' energy: -18.920
flat angles C4'-P-C4' energy: -19.994
flat angles P-C4'-P energy: -6.134
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: 1
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -179.998434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.998434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.998434 (E_RNA)
where:
Base-Base interactions energy: -111.231
where: short stacking energy: -58.044
Base-Backbone interact. energy: -0.445
local terms energy: -68.322217
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -18.424
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -12.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -128.732186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.732186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.732186 (E_RNA)
where:
Base-Base interactions energy: -59.891
where: short stacking energy: -55.283
Base-Backbone interact. energy: -0.739
local terms energy: -68.102130
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -13.667
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -14.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -160.468279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.468279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.468279 (E_RNA)
where:
Base-Base interactions energy: -96.576
where: short stacking energy: -47.304
Base-Backbone interact. energy: -0.318
local terms energy: -63.574381
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -9.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -101.055248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.055248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.055248 (E_RNA)
where:
Base-Base interactions energy: -43.626
where: short stacking energy: -40.820
Base-Backbone interact. energy: -0.036
local terms energy: -57.393531
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -3.193
tors. eta vs tors. theta energy: -8.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -88.137248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.137248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.137248 (E_RNA)
where:
Base-Base interactions energy: -31.624
where: short stacking energy: -19.200
Base-Backbone interact. energy: -0.075
local terms energy: -56.438636
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: 0.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -77.217010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.217010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.217010 (E_RNA)
where:
Base-Base interactions energy: -28.472
where: short stacking energy: -23.007
Base-Backbone interact. energy: -0.183
local terms energy: -48.561600
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -6.050
flat angles P-C4'-P energy: -4.939
tors. eta vs tors. theta energy: -8.293
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: 5
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -243.314176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.314176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.314176 (E_RNA)
where:
Base-Base interactions energy: -164.736
where: short stacking energy: -71.664
Base-Backbone interact. energy: 0.042
local terms energy: -78.619669
where:
bonds (distance) C4'-P energy: -16.655
bonds (distance) P-C4' energy: -20.712
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -12.921
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: 2
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -208.077806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.077806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.077806 (E_RNA)
where:
Base-Base interactions energy: -136.115
where: short stacking energy: -72.048
Base-Backbone interact. energy: -0.080
local terms energy: -71.882856
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -6.969
tors. eta vs tors. theta energy: -20.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -226.956900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.956900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.956900 (E_RNA)
where:
Base-Base interactions energy: -154.124
where: short stacking energy: -61.831
Base-Backbone interact. energy: 1.104
local terms energy: -73.936581
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -11.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -177.612771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.612771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.612771 (E_RNA)
where:
Base-Base interactions energy: -104.739
where: short stacking energy: -58.669
Base-Backbone interact. energy: -0.053
local terms energy: -72.820984
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -14.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -203.117626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.117626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.117626 (E_RNA)
where:
Base-Base interactions energy: -133.107
where: short stacking energy: -57.507
Base-Backbone interact. energy: -0.064
local terms energy: -69.946205
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -8.681
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: 6, replica: 4
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -177.993259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.993259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.993259 (E_RNA)
where:
Base-Base interactions energy: -108.104
where: short stacking energy: -50.935
Base-Backbone interact. energy: -0.708
local terms energy: -69.181068
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -9.533
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: 7, replica: 7
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -112.209732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.209732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.209732 (E_RNA)
where:
Base-Base interactions energy: -50.665
where: short stacking energy: -46.365
Base-Backbone interact. energy: -0.472
local terms energy: -61.072251
where:
bonds (distance) C4'-P energy: -12.080
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -7.619
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: 8, replica: 8
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -123.291320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.291320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.291320 (E_RNA)
where:
Base-Base interactions energy: -69.116
where: short stacking energy: -36.979
Base-Backbone interact. energy: 0.371
local terms energy: -54.546246
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -10.955
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -4.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -90.897672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.897672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.897672 (E_RNA)
where:
Base-Base interactions energy: -35.717
where: short stacking energy: -29.407
Base-Backbone interact. energy: -0.194
local terms energy: -54.986844
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -2.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -86.721404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.721404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.721404 (E_RNA)
where:
Base-Base interactions energy: -32.966
where: short stacking energy: -32.966
Base-Backbone interact. energy: -0.118
local terms energy: -53.637919
where:
bonds (distance) C4'-P energy: -9.550
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -2.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -247.017550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.017550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.017550 (E_RNA)
where:
Base-Base interactions energy: -170.501
where: short stacking energy: -71.306
Base-Backbone interact. energy: -0.266
local terms energy: -76.250700
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -18.355
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -16.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -212.276501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.276501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.276501 (E_RNA)
where:
Base-Base interactions energy: -139.309
where: short stacking energy: -66.140
Base-Backbone interact. energy: 1.154
local terms energy: -74.121756
where:
bonds (distance) C4'-P energy: -18.332
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -14.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -221.948342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.948342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.948342 (E_RNA)
where:
Base-Base interactions energy: -141.743
where: short stacking energy: -76.306
Base-Backbone interact. energy: -0.141
local terms energy: -80.064165
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -17.490
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -19.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -224.235329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.235329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.235329 (E_RNA)
where:
Base-Base interactions energy: -153.266
where: short stacking energy: -58.877
Base-Backbone interact. energy: -0.565
local terms energy: -70.405083
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -12.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -200.343450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.343450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.343450 (E_RNA)
where:
Base-Base interactions energy: -132.329
where: short stacking energy: -54.096
Base-Backbone interact. energy: -0.111
local terms energy: -67.903746
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -18.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -178.840911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.840911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.840911 (E_RNA)
where:
Base-Base interactions energy: -113.422
where: short stacking energy: -60.960
Base-Backbone interact. energy: -0.088
local terms energy: -65.331114
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -13.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -153.463545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.463545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.463545 (E_RNA)
where:
Base-Base interactions energy: -91.665
where: short stacking energy: -45.999
Base-Backbone interact. energy: -1.057
local terms energy: -60.741125
where:
bonds (distance) C4'-P energy: -9.510
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -7.124
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: 284
Temperature: 1.250000
Total energy: -85.226091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.226091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.226091 (E_RNA)
where:
Base-Base interactions energy: -28.757
where: short stacking energy: -27.026
Base-Backbone interact. energy: 0.071
local terms energy: -56.539927
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -0.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -95.979064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.979064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.979064 (E_RNA)
where:
Base-Base interactions energy: -43.632
where: short stacking energy: -31.154
Base-Backbone interact. energy: -0.443
local terms energy: -51.904277
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: -2.806
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: 6
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -83.062521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.062521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.062521 (E_RNA)
where:
Base-Base interactions energy: -31.850
where: short stacking energy: -29.749
Base-Backbone interact. energy: -0.655
local terms energy: -50.558198
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -9.568
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -2.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -243.084469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.084469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.084469 (E_RNA)
where:
Base-Base interactions energy: -168.251
where: short stacking energy: -71.968
Base-Backbone interact. energy: -0.393
local terms energy: -74.439755
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -14.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -227.639236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.639236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.639236 (E_RNA)
where:
Base-Base interactions energy: -147.715
where: short stacking energy: -74.109
Base-Backbone interact. energy: -0.340
local terms energy: -79.584331
where:
bonds (distance) C4'-P energy: -18.141
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -22.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -202.476870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.476870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.476870 (E_RNA)
where:
Base-Base interactions energy: -128.891
where: short stacking energy: -61.432
Base-Backbone interact. energy: -0.110
local terms energy: -73.476347
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -12.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -227.351594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.351594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.351594 (E_RNA)
where:
Base-Base interactions energy: -163.176
where: short stacking energy: -66.497
Base-Backbone interact. energy: -0.250
local terms energy: -63.926334
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -6.893
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -11.131
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: 5, replica: 10
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -172.680545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.680545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.680545 (E_RNA)
where:
Base-Base interactions energy: -105.144
where: short stacking energy: -55.904
Base-Backbone interact. energy: -0.005
local terms energy: -67.531485
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -11.613
flat angles C4'-P-C4' energy: -19.225
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -12.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -174.828829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.828829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.828829 (E_RNA)
where:
Base-Base interactions energy: -108.306
where: short stacking energy: -53.694
Base-Backbone interact. energy: -0.037
local terms energy: -66.486305
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -9.732
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: 7, replica: 8
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -158.020641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.020641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.020641 (E_RNA)
where:
Base-Base interactions energy: -97.381
where: short stacking energy: -50.650
Base-Backbone interact. energy: -0.329
local terms energy: -60.310094
where:
bonds (distance) C4'-P energy: -8.933
bonds (distance) P-C4' energy: -18.334
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -8.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -85.944655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.944655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.944655 (E_RNA)
where:
Base-Base interactions energy: -32.981
where: short stacking energy: -26.598
Base-Backbone interact. energy: 0.070
local terms energy: -53.033604
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -13.708
tors. eta vs tors. theta energy: -0.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -87.886310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.886310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.886310 (E_RNA)
where:
Base-Base interactions energy: -26.492
where: short stacking energy: -26.492
Base-Backbone interact. energy: -0.017
local terms energy: -61.377417
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -4.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -100.682144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.682144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.682144 (E_RNA)
where:
Base-Base interactions energy: -46.654
where: short stacking energy: -41.831
Base-Backbone interact. energy: -0.200
local terms energy: -53.827891
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -9.440
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -8.197
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: 1, replica: 1
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -228.512898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.512898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.512898 (E_RNA)
where:
Base-Base interactions energy: -145.499
where: short stacking energy: -72.258
Base-Backbone interact. energy: -0.568
local terms energy: -82.445718
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -11.942
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: 2, replica: 5
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -240.376397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.376397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.376397 (E_RNA)
where:
Base-Base interactions energy: -165.266
where: short stacking energy: -66.616
Base-Backbone interact. energy: 0.039
local terms energy: -75.148921
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -17.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -235.252142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.252142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.252142 (E_RNA)
where:
Base-Base interactions energy: -163.933
where: short stacking energy: -68.373
Base-Backbone interact. energy: -1.050
local terms energy: -70.269683
where:
bonds (distance) C4'-P energy: -16.746
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -13.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -188.625800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.625800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.625800 (E_RNA)
where:
Base-Base interactions energy: -108.564
where: short stacking energy: -60.800
Base-Backbone interact. energy: -0.087
local terms energy: -79.974768
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -18.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -169.900798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.900798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.900798 (E_RNA)
where:
Base-Base interactions energy: -104.360
where: short stacking energy: -51.144
Base-Backbone interact. energy: 1.596
local terms energy: -67.136990
where:
bonds (distance) C4'-P energy: -16.141
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -8.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -176.512713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.512713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.512713 (E_RNA)
where:
Base-Base interactions energy: -114.401
where: short stacking energy: -52.138
Base-Backbone interact. energy: -0.081
local terms energy: -62.029773
where:
bonds (distance) C4'-P energy: -7.240
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -13.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -171.095962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.095962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.095962 (E_RNA)
where:
Base-Base interactions energy: -105.076
where: short stacking energy: -49.141
Base-Backbone interact. energy: 0.869
local terms energy: -66.889470
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -18.492
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -9.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -94.698582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.698582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.698582 (E_RNA)
where:
Base-Base interactions energy: -32.361
where: short stacking energy: -28.705
Base-Backbone interact. energy: -0.001
local terms energy: -62.337051
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -6.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -87.134032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.134032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.134032 (E_RNA)
where:
Base-Base interactions energy: -30.430
where: short stacking energy: -30.430
Base-Backbone interact. energy: -0.046
local terms energy: -56.658077
where:
bonds (distance) C4'-P energy: -17.425
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -10.064
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: 10, replica: 9
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -85.681211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.681211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.681211 (E_RNA)
where:
Base-Base interactions energy: -17.727
where: short stacking energy: -17.174
Base-Backbone interact. energy: -0.176
local terms energy: -67.778371
where:
bonds (distance) C4'-P energy: -17.279
bonds (distance) P-C4' energy: -19.997
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -4.209
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: 1
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -225.346829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.346829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.346829 (E_RNA)
where:
Base-Base interactions energy: -141.797
where: short stacking energy: -64.980
Base-Backbone interact. energy: -0.024
local terms energy: -83.525830
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -20.057
flat angles P-C4'-P energy: -14.573
tors. eta vs tors. theta energy: -16.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -248.449743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.449743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.449743 (E_RNA)
where:
Base-Base interactions energy: -184.214
where: short stacking energy: -71.737
Base-Backbone interact. energy: -1.070
local terms energy: -63.165630
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -4.586
tors. eta vs tors. theta energy: -16.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -229.871558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.871558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.871558 (E_RNA)
where:
Base-Base interactions energy: -155.038
where: short stacking energy: -62.831
Base-Backbone interact. energy: -0.922
local terms energy: -73.911674
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -17.158
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -15.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -197.880068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.880068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.880068 (E_RNA)
where:
Base-Base interactions energy: -132.514
where: short stacking energy: -59.272
Base-Backbone interact. energy: -0.440
local terms energy: -64.926373
where:
bonds (distance) C4'-P energy: -16.816
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -5.872
tors. eta vs tors. theta energy: -13.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -187.249025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.249025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.249025 (E_RNA)
where:
Base-Base interactions energy: -115.539
where: short stacking energy: -54.664
Base-Backbone interact. energy: -0.030
local terms energy: -71.679615
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: -13.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -187.162443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.162443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.162443 (E_RNA)
where:
Base-Base interactions energy: -117.431
where: short stacking energy: -52.076
Base-Backbone interact. energy: -0.018
local terms energy: -69.713162
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: -16.498
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: 10
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -164.628781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.628781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.628781 (E_RNA)
where:
Base-Base interactions energy: -105.429
where: short stacking energy: -48.287
Base-Backbone interact. energy: -0.283
local terms energy: -58.916101
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -3.737
tors. eta vs tors. theta energy: -11.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -90.060888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.060888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.060888 (E_RNA)
where:
Base-Base interactions energy: -42.490
where: short stacking energy: -40.231
Base-Backbone interact. energy: 0.377
local terms energy: -47.948461
where:
bonds (distance) C4'-P energy: -10.930
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -5.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -95.274732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.274732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.274732 (E_RNA)
where:
Base-Base interactions energy: -39.269
where: short stacking energy: -37.274
Base-Backbone interact. energy: -0.231
local terms energy: -55.775049
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -82.816566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.816566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.816566 (E_RNA)
where:
Base-Base interactions energy: -29.447
where: short stacking energy: -25.308
Base-Backbone interact. energy: 2.102
local terms energy: -55.471911
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: 1.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -250.265086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.265086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.265086 (E_RNA)
where:
Base-Base interactions energy: -182.026
where: short stacking energy: -72.341
Base-Backbone interact. energy: -0.304
local terms energy: -67.934617
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -14.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -226.001641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.001641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.001641 (E_RNA)
where:
Base-Base interactions energy: -148.691
where: short stacking energy: -72.907
Base-Backbone interact. energy: -0.049
local terms energy: -77.261421
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -17.589
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -19.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -224.469695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.469695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.469695 (E_RNA)
where:
Base-Base interactions energy: -157.171
where: short stacking energy: -64.023
Base-Backbone interact. energy: -1.235
local terms energy: -66.063132
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -10.692
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: 4, replica: 2
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -185.121420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.121420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.121420 (E_RNA)
where:
Base-Base interactions energy: -123.754
where: short stacking energy: -48.644
Base-Backbone interact. energy: -0.054
local terms energy: -61.313383
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -12.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -176.255186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.255186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.255186 (E_RNA)
where:
Base-Base interactions energy: -104.067
where: short stacking energy: -49.583
Base-Backbone interact. energy: -0.025
local terms energy: -72.163366
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -13.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -171.033525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.033525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.033525 (E_RNA)
where:
Base-Base interactions energy: -111.380
where: short stacking energy: -49.059
Base-Backbone interact. energy: -0.423
local terms energy: -59.231349
where:
bonds (distance) C4'-P energy: -10.524
bonds (distance) P-C4' energy: -12.304
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -10.141
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: 10
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -153.898387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.898387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.898387 (E_RNA)
where:
Base-Base interactions energy: -87.284
where: short stacking energy: -42.062
Base-Backbone interact. energy: -0.709
local terms energy: -65.905649
where:
bonds (distance) C4'-P energy: -14.390
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -7.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -102.394282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.394282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.394282 (E_RNA)
where:
Base-Base interactions energy: -46.731
where: short stacking energy: -29.829
Base-Backbone interact. energy: -0.718
local terms energy: -54.945988
where:
bonds (distance) C4'-P energy: -9.016
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -6.574
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: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -76.788445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.788445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.788445 (E_RNA)
where:
Base-Base interactions energy: -29.718
where: short stacking energy: -28.513
Base-Backbone interact. energy: -0.031
local terms energy: -47.039825
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -9.081
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -3.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -80.238378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.238378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.238378 (E_RNA)
where:
Base-Base interactions energy: -25.227
where: short stacking energy: -24.320
Base-Backbone interact. energy: -0.772
local terms energy: -54.240353
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: -4.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -256.378073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.378073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.378073 (E_RNA)
where:
Base-Base interactions energy: -186.730
where: short stacking energy: -61.421
Base-Backbone interact. energy: -1.407
local terms energy: -68.240859
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -12.241
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -15.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -222.922579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.922579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.922579 (E_RNA)
where:
Base-Base interactions energy: -152.533
where: short stacking energy: -63.746
Base-Backbone interact. energy: 0.802
local terms energy: -71.192415
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -10.802
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: 1
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -237.480729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.480729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.480729 (E_RNA)
where:
Base-Base interactions energy: -158.500
where: short stacking energy: -78.225
Base-Backbone interact. energy: -0.080
local terms energy: -78.901413
where:
bonds (distance) C4'-P energy: -17.554
bonds (distance) P-C4' energy: -16.468
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -18.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -166.776494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.776494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.776494 (E_RNA)
where:
Base-Base interactions energy: -101.575
where: short stacking energy: -39.874
Base-Backbone interact. energy: 0.843
local terms energy: -66.045212
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -9.791
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: 4
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -186.177127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.177127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.177127 (E_RNA)
where:
Base-Base interactions energy: -117.012
where: short stacking energy: -66.299
Base-Backbone interact. energy: -0.000
local terms energy: -69.164954
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -18.385
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: -16.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -166.188107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.188107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.188107 (E_RNA)
where:
Base-Base interactions energy: -105.078
where: short stacking energy: -52.475
Base-Backbone interact. energy: -0.614
local terms energy: -60.496284
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -17.391
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -5.733
tors. eta vs tors. theta energy: -10.008
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: 7, replica: 8
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -173.371026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.371026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.371026 (E_RNA)
where:
Base-Base interactions energy: -108.328
where: short stacking energy: -50.010
Base-Backbone interact. energy: 0.296
local terms energy: -65.338749
where:
bonds (distance) C4'-P energy: -17.027
bonds (distance) P-C4' energy: -12.766
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -12.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -105.804065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.804065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.804065 (E_RNA)
where:
Base-Base interactions energy: -41.809
where: short stacking energy: -40.320
Base-Backbone interact. energy: 0.422
local terms energy: -64.416510
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -9.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -95.816345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.816345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.816345 (E_RNA)
where:
Base-Base interactions energy: -34.633
where: short stacking energy: -26.482
Base-Backbone interact. energy: 1.073
local terms energy: -62.256433
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -7.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -89.362948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.362948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.362948 (E_RNA)
where:
Base-Base interactions energy: -41.594
where: short stacking energy: -39.225
Base-Backbone interact. energy: 0.250
local terms energy: -48.018401
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -10.868
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -4.672
tors. eta vs tors. theta energy: -6.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -257.271830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.271830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.271830 (E_RNA)
where:
Base-Base interactions energy: -179.991
where: short stacking energy: -65.349
Base-Backbone interact. energy: -1.433
local terms energy: -75.848133
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -13.785
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: 2, replica: 5
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -228.011327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.011327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.011327 (E_RNA)
where:
Base-Base interactions energy: -160.159
where: short stacking energy: -60.017
Base-Backbone interact. energy: -1.282
local terms energy: -66.569524
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -12.426
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: 1
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -228.955540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.955540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.955540 (E_RNA)
where:
Base-Base interactions energy: -151.575
where: short stacking energy: -74.451
Base-Backbone interact. energy: 0.108
local terms energy: -77.488450
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -18.568
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -18.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -191.905983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.905983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.905983 (E_RNA)
where:
Base-Base interactions energy: -127.441
where: short stacking energy: -67.122
Base-Backbone interact. energy: -0.518
local terms energy: -63.946417
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -18.125
flat angles P-C4'-P energy: -4.269
tors. eta vs tors. theta energy: -12.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -179.562562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.562562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.562562 (E_RNA)
where:
Base-Base interactions energy: -110.428
where: short stacking energy: -53.584
Base-Backbone interact. energy: -0.109
local terms energy: -69.025403
where:
bonds (distance) C4'-P energy: -19.528
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -7.149
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: 6, replica: 10
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -157.377357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.377357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.377357 (E_RNA)
where:
Base-Base interactions energy: -90.536
where: short stacking energy: -53.622
Base-Backbone interact. energy: -0.035
local terms energy: -66.806083
where:
bonds (distance) C4'-P energy: -18.498
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -10.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -96.361728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.361728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.361728 (E_RNA)
where:
Base-Base interactions energy: -38.134
where: short stacking energy: -38.134
Base-Backbone interact. energy: -0.299
local terms energy: -57.928606
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -1.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -138.454156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.454156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.454156 (E_RNA)
where:
Base-Base interactions energy: -86.375
where: short stacking energy: -43.006
Base-Backbone interact. energy: 1.568
local terms energy: -53.646530
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -13.860
flat angles C4'-P-C4' energy: -9.221
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -8.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -93.099478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.099478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.099478 (E_RNA)
where:
Base-Base interactions energy: -48.409
where: short stacking energy: -28.574
Base-Backbone interact. energy: 2.083
local terms energy: -46.773357
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -5.946
tors. eta vs tors. theta energy: 0.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -84.930234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.930234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.930234 (E_RNA)
where:
Base-Base interactions energy: -28.398
where: short stacking energy: -23.037
Base-Backbone interact. energy: -0.355
local terms energy: -56.177689
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -8.860
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -5.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -253.062744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.062744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.062744 (E_RNA)
where:
Base-Base interactions energy: -182.444
where: short stacking energy: -68.555
Base-Backbone interact. energy: -0.998
local terms energy: -69.620809
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -14.295
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: 2, replica: 5
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -224.186851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.186851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.186851 (E_RNA)
where:
Base-Base interactions energy: -149.148
where: short stacking energy: -59.429
Base-Backbone interact. energy: -0.642
local terms energy: -74.396276
where:
bonds (distance) C4'-P energy: -17.806
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -18.364
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -10.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -223.031694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.031694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.031694 (E_RNA)
where:
Base-Base interactions energy: -151.367
where: short stacking energy: -58.235
Base-Backbone interact. energy: -0.450
local terms energy: -71.214694
where:
bonds (distance) C4'-P energy: -12.085
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -15.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -203.710258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.710258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.710258 (E_RNA)
where:
Base-Base interactions energy: -129.670
where: short stacking energy: -71.448
Base-Backbone interact. energy: -0.066
local terms energy: -73.974641
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -18.364
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: -15.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -170.476091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.476091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.476091 (E_RNA)
where:
Base-Base interactions energy: -105.647
where: short stacking energy: -57.932
Base-Backbone interact. energy: -0.141
local terms energy: -64.688039
where:
bonds (distance) C4'-P energy: -9.532
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -14.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -170.364933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.364933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.364933 (E_RNA)
where:
Base-Base interactions energy: -104.364
where: short stacking energy: -43.918
Base-Backbone interact. energy: -0.963
local terms energy: -65.037790
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -11.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -113.899881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.899881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.899881 (E_RNA)
where:
Base-Base interactions energy: -45.499
where: short stacking energy: -36.077
Base-Backbone interact. energy: -0.127
local terms energy: -68.274152
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -17.854
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -11.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -152.100184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.100184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.100184 (E_RNA)
where:
Base-Base interactions energy: -94.551
where: short stacking energy: -40.860
Base-Backbone interact. energy: -0.825
local terms energy: -56.724829
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -9.642
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: 9, replica: 7
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -91.949334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.949334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.949334 (E_RNA)
where:
Base-Base interactions energy: -48.149
where: short stacking energy: -37.201
Base-Backbone interact. energy: -0.145
local terms energy: -43.655118
where:
bonds (distance) C4'-P energy: -6.341
bonds (distance) P-C4' energy: -12.987
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: 3.455
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: 6
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -79.953566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.953566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.953566 (E_RNA)
where:
Base-Base interactions energy: -28.506
where: short stacking energy: -17.027
Base-Backbone interact. energy: -0.304
local terms energy: -51.143130
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -3.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -240.302499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.302499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.302499 (E_RNA)
where:
Base-Base interactions energy: -178.904
where: short stacking energy: -69.231
Base-Backbone interact. energy: -1.062
local terms energy: -60.336438
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -8.681
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -11.900
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: 5
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -236.170891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.170891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.170891 (E_RNA)
where:
Base-Base interactions energy: -157.791
where: short stacking energy: -57.972
Base-Backbone interact. energy: -1.962
local terms energy: -76.417571
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -19.398
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -11.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -224.355922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.355922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.355922 (E_RNA)
where:
Base-Base interactions energy: -144.883
where: short stacking energy: -63.739
Base-Backbone interact. energy: -0.141
local terms energy: -79.331082
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -19.026
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -19.811
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: 292
Temperature: 1.050000
Total energy: -203.529001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.529001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.529001 (E_RNA)
where:
Base-Base interactions energy: -128.991
where: short stacking energy: -67.950
Base-Backbone interact. energy: -0.340
local terms energy: -74.197484
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -17.035
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -11.345
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: 5, replica: 10
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -184.695014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.695014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.695014 (E_RNA)
where:
Base-Base interactions energy: -109.528
where: short stacking energy: -56.921
Base-Backbone interact. energy: -0.002
local terms energy: -75.165255
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -10.056
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: 6, replica: 2
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -182.390213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.390213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.390213 (E_RNA)
where:
Base-Base interactions energy: -119.866
where: short stacking energy: -53.710
Base-Backbone interact. energy: 1.006
local terms energy: -63.531074
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -9.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -160.197398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.197398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.197398 (E_RNA)
where:
Base-Base interactions energy: -94.912
where: short stacking energy: -43.592
Base-Backbone interact. energy: -0.338
local terms energy: -64.947499
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -9.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -86.214909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.214909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.214909 (E_RNA)
where:
Base-Base interactions energy: -38.369
where: short stacking energy: -24.390
Base-Backbone interact. energy: -0.142
local terms energy: -47.703529
where:
bonds (distance) C4'-P energy: -5.331
bonds (distance) P-C4' energy: -11.698
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -10.100
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: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -84.811942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.811942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.811942 (E_RNA)
where:
Base-Base interactions energy: -31.514
where: short stacking energy: -22.468
Base-Backbone interact. energy: 0.317
local terms energy: -53.615307
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -4.237
tors. eta vs tors. theta energy: -4.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -79.816680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.816680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.816680 (E_RNA)
where:
Base-Base interactions energy: -34.138
where: short stacking energy: -33.847
Base-Backbone interact. energy: -0.021
local terms energy: -45.657755
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -2.759
tors. eta vs tors. theta energy: -1.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -234.294140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.294140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.294140 (E_RNA)
where:
Base-Base interactions energy: -155.937
where: short stacking energy: -65.003
Base-Backbone interact. energy: 0.713
local terms energy: -79.070594
where:
bonds (distance) C4'-P energy: -18.397
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -15.709
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: 293
Temperature: 0.950000
Total energy: -218.672236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.672236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.672236 (E_RNA)
where:
Base-Base interactions energy: -139.288
where: short stacking energy: -61.429
Base-Backbone interact. energy: -2.112
local terms energy: -77.272188
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -13.767
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -15.182
tors. eta vs tors. theta energy: -18.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -229.671657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.671657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.671657 (E_RNA)
where:
Base-Base interactions energy: -154.955
where: short stacking energy: -65.880
Base-Backbone interact. energy: -1.036
local terms energy: -73.680400
where:
bonds (distance) C4'-P energy: -17.740
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -12.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -217.236440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.236440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.236440 (E_RNA)
where:
Base-Base interactions energy: -139.981
where: short stacking energy: -72.529
Base-Backbone interact. energy: -0.094
local terms energy: -77.161553
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -13.507
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: 10
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -180.999621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.999621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.999621 (E_RNA)
where:
Base-Base interactions energy: -121.363
where: short stacking energy: -54.622
Base-Backbone interact. energy: -0.170
local terms energy: -59.467223
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -13.147
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -14.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -167.458582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.458582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.458582 (E_RNA)
where:
Base-Base interactions energy: -102.833
where: short stacking energy: -55.186
Base-Backbone interact. energy: -0.557
local terms energy: -64.068419
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -14.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -169.282347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.282347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.282347 (E_RNA)
where:
Base-Base interactions energy: -103.160
where: short stacking energy: -43.250
Base-Backbone interact. energy: -0.155
local terms energy: -65.967920
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -8.443
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: 8, replica: 6
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -89.808662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.808662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.808662 (E_RNA)
where:
Base-Base interactions energy: -44.514
where: short stacking energy: -26.845
Base-Backbone interact. energy: -0.261
local terms energy: -45.033281
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -1.095
tors. eta vs tors. theta energy: -3.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -102.457959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.457959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.457959 (E_RNA)
where:
Base-Base interactions energy: -45.022
where: short stacking energy: -17.414
Base-Backbone interact. energy: -0.100
local terms energy: -57.336563
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -9.892
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -6.464
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: 7
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -73.817933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.817933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.817933 (E_RNA)
where:
Base-Base interactions energy: -25.751
where: short stacking energy: -25.751
Base-Backbone interact. energy: -0.940
local terms energy: -47.126932
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -1.817
tors. eta vs tors. theta energy: -0.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -227.319933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.319933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.319933 (E_RNA)
where:
Base-Base interactions energy: -153.308
where: short stacking energy: -64.019
Base-Backbone interact. energy: -0.311
local terms energy: -73.700626
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -8.566
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: 2, replica: 3
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -238.684584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.684584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.684584 (E_RNA)
where:
Base-Base interactions energy: -162.255
where: short stacking energy: -61.936
Base-Backbone interact. energy: -0.998
local terms energy: -75.431416
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -16.416
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -9.264
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: 3, replica: 5
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -225.949132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.949132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.949132 (E_RNA)
where:
Base-Base interactions energy: -155.158
where: short stacking energy: -59.731
Base-Backbone interact. energy: 1.394
local terms energy: -72.185098
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -15.436
tors. eta vs tors. theta energy: -10.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -207.819182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.819182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.819182 (E_RNA)
where:
Base-Base interactions energy: -129.612
where: short stacking energy: -70.863
Base-Backbone interact. energy: -0.179
local terms energy: -78.028926
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -21.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -208.131671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.131671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.131671 (E_RNA)
where:
Base-Base interactions energy: -139.116
where: short stacking energy: -81.162
Base-Backbone interact. energy: -0.308
local terms energy: -68.707791
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -9.217
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -22.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -177.812177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.812177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.812177 (E_RNA)
where:
Base-Base interactions energy: -98.956
where: short stacking energy: -64.529
Base-Backbone interact. energy: -0.121
local terms energy: -78.735334
where:
bonds (distance) C4'-P energy: -18.854
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -18.465
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: 7, replica: 2
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -166.465406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.465406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.465406 (E_RNA)
where:
Base-Base interactions energy: -98.180
where: short stacking energy: -54.082
Base-Backbone interact. energy: -0.081
local terms energy: -68.204823
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -5.649
tors. eta vs tors. theta energy: -17.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -97.739863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.739863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.739863 (E_RNA)
where:
Base-Base interactions energy: -41.123
where: short stacking energy: -30.078
Base-Backbone interact. energy: -0.173
local terms energy: -56.443920
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -0.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -89.722513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.722513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.722513 (E_RNA)
where:
Base-Base interactions energy: -35.526
where: short stacking energy: -29.903
Base-Backbone interact. energy: -0.199
local terms energy: -53.997482
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -9.602
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -9.467
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: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -80.978403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.978403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.978403 (E_RNA)
where:
Base-Base interactions energy: -36.061
where: short stacking energy: -35.408
Base-Backbone interact. energy: -0.153
local terms energy: -44.763455
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -6.703
flat angles P-C4'-P energy: -6.268
tors. eta vs tors. theta energy: -1.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -235.304520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.304520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.304520 (E_RNA)
where:
Base-Base interactions energy: -155.851
where: short stacking energy: -70.447
Base-Backbone interact. energy: -0.373
local terms energy: -79.080451
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -11.695
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: 2, replica: 5
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -241.773729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.773729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.773729 (E_RNA)
where:
Base-Base interactions energy: -166.716
where: short stacking energy: -65.018
Base-Backbone interact. energy: -0.223
local terms energy: -74.834012
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -19.592
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -13.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -230.583994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.583994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.583994 (E_RNA)
where:
Base-Base interactions energy: -158.196
where: short stacking energy: -64.138
Base-Backbone interact. energy: -0.325
local terms energy: -72.062833
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -13.005
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: 8
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -213.730176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.730176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.730176 (E_RNA)
where:
Base-Base interactions energy: -130.655
where: short stacking energy: -69.193
Base-Backbone interact. energy: -0.223
local terms energy: -82.852477
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -19.132
flat angles C4'-P-C4' energy: -18.794
flat angles P-C4'-P energy: -11.348
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: 5, replica: 4
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -187.657813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.657813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.657813 (E_RNA)
where:
Base-Base interactions energy: -117.110
where: short stacking energy: -56.726
Base-Backbone interact. energy: -0.277
local terms energy: -70.271092
where:
bonds (distance) C4'-P energy: -10.097
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: -12.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -192.996944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.996944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.996944 (E_RNA)
where:
Base-Base interactions energy: -130.443
where: short stacking energy: -60.847
Base-Backbone interact. energy: -0.143
local terms energy: -62.410520
where:
bonds (distance) C4'-P energy: -9.678
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -11.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -173.858975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.858975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.858975 (E_RNA)
where:
Base-Base interactions energy: -116.543
where: short stacking energy: -50.730
Base-Backbone interact. energy: -0.728
local terms energy: -56.588555
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -10.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -87.266185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.266185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.266185 (E_RNA)
where:
Base-Base interactions energy: -37.097
where: short stacking energy: -31.514
Base-Backbone interact. energy: -1.065
local terms energy: -49.104225
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -16.956
flat angles C4'-P-C4' energy: -9.664
flat angles P-C4'-P energy: -5.080
tors. eta vs tors. theta energy: -4.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -99.036350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.036350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.036350 (E_RNA)
where:
Base-Base interactions energy: -38.831
where: short stacking energy: -34.887
Base-Backbone interact. energy: -0.377
local terms energy: -59.828389
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -11.181
flat angles P-C4'-P energy: -5.962
tors. eta vs tors. theta energy: -7.683
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: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -85.797079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.797079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.797079 (E_RNA)
where:
Base-Base interactions energy: -29.967
where: short stacking energy: -29.665
Base-Backbone interact. energy: 0.372
local terms energy: -56.201536
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -16.162
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -8.755
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: 1, replica: 5
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -234.587203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.587203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.587203 (E_RNA)
where:
Base-Base interactions energy: -165.431
where: short stacking energy: -66.746
Base-Backbone interact. energy: -0.237
local terms energy: -68.919556
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -12.261
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: 1
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -224.703296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.703296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.703296 (E_RNA)
where:
Base-Base interactions energy: -148.455
where: short stacking energy: -61.687
Base-Backbone interact. energy: -0.117
local terms energy: -76.131407
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -12.305
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -13.928
tors. eta vs tors. theta energy: -18.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -229.435228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.435228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.435228 (E_RNA)
where:
Base-Base interactions energy: -159.457
where: short stacking energy: -63.589
Base-Backbone interact. energy: -0.620
local terms energy: -69.358709
where:
bonds (distance) C4'-P energy: -16.716
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -9.835
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: 4, replica: 8
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -170.917974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.917974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.917974 (E_RNA)
where:
Base-Base interactions energy: -103.690
where: short stacking energy: -50.151
Base-Backbone interact. energy: -0.206
local terms energy: -67.021915
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -17.300
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -12.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -177.787188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.787188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.787188 (E_RNA)
where:
Base-Base interactions energy: -112.661
where: short stacking energy: -58.781
Base-Backbone interact. energy: -0.021
local terms energy: -65.105196
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -13.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -188.775510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.775510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.775510 (E_RNA)
where:
Base-Base interactions energy: -123.164
where: short stacking energy: -60.766
Base-Backbone interact. energy: -0.077
local terms energy: -65.533821
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -16.035
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: 2
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -163.695467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.695467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.695467 (E_RNA)
where:
Base-Base interactions energy: -99.108
where: short stacking energy: -48.273
Base-Backbone interact. energy: -0.011
local terms energy: -64.576320
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -13.351
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -7.585
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: 8, replica: 7
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -108.888907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.888907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.888907 (E_RNA)
where:
Base-Base interactions energy: -41.939
where: short stacking energy: -41.616
Base-Backbone interact. energy: -0.162
local terms energy: -66.787459
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -19.915
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -6.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -83.710940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.710940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.710940 (E_RNA)
where:
Base-Base interactions energy: -37.319
where: short stacking energy: -23.887
Base-Backbone interact. energy: -0.150
local terms energy: -46.241881
where:
bonds (distance) C4'-P energy: -8.590
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -2.349
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: 10, replica: 6
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -83.159529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.159529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.159529 (E_RNA)
where:
Base-Base interactions energy: -28.272
where: short stacking energy: -25.542
Base-Backbone interact. energy: -0.159
local terms energy: -54.728592
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -11.359
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -5.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -240.641463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.641463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.641463 (E_RNA)
where:
Base-Base interactions energy: -167.247
where: short stacking energy: -65.695
Base-Backbone interact. energy: -0.252
local terms energy: -73.142607
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -18.191
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -13.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -236.381422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.381422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.381422 (E_RNA)
where:
Base-Base interactions energy: -164.283
where: short stacking energy: -63.393
Base-Backbone interact. energy: 0.133
local terms energy: -72.231037
where:
bonds (distance) C4'-P energy: -11.298
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -17.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -217.647177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.647177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.647177 (E_RNA)
where:
Base-Base interactions energy: -142.169
where: short stacking energy: -63.435
Base-Backbone interact. energy: -0.188
local terms energy: -75.290135
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -18.613
flat angles P-C4'-P energy: -10.297
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: 4, replica: 8
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -198.857475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.857475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.857475 (E_RNA)
where:
Base-Base interactions energy: -120.698
where: short stacking energy: -56.028
Base-Backbone interact. energy: -0.224
local terms energy: -77.934871
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -18.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -193.794076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.794076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.794076 (E_RNA)
where:
Base-Base interactions energy: -124.171
where: short stacking energy: -56.106
Base-Backbone interact. energy: -1.200
local terms energy: -68.423071
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -16.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -190.627693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.627693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.627693 (E_RNA)
where:
Base-Base interactions energy: -123.612
where: short stacking energy: -51.602
Base-Backbone interact. energy: 0.009
local terms energy: -67.024359
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -13.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -167.549447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.549447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.549447 (E_RNA)
where:
Base-Base interactions energy: -101.039
where: short stacking energy: -54.065
Base-Backbone interact. energy: -0.012
local terms energy: -66.497897
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -12.008
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -5.876
tors. eta vs tors. theta energy: -16.138
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: 297
Temperature: 1.250000
Total energy: -85.404117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.404117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.404117 (E_RNA)
where:
Base-Base interactions energy: -24.817
where: short stacking energy: -19.283
Base-Backbone interact. energy: 0.129
local terms energy: -60.716114
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -19.130
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: 1.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -87.418883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.418883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.418883 (E_RNA)
where:
Base-Base interactions energy: -32.673
where: short stacking energy: -31.903
Base-Backbone interact. energy: -0.068
local terms energy: -54.677306
where:
bonds (distance) C4'-P energy: -9.484
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -7.712
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -8.655
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: 6
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -86.306881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.306881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.306881 (E_RNA)
where:
Base-Base interactions energy: -32.119
where: short stacking energy: -32.173
Base-Backbone interact. energy: -0.641
local terms energy: -53.547183
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -1.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -246.389465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.389465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.389465 (E_RNA)
where:
Base-Base interactions energy: -166.529
where: short stacking energy: -67.360
Base-Backbone interact. energy: 0.985
local terms energy: -80.845394
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -19.782
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -14.360
tors. eta vs tors. theta energy: -14.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -231.878196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.878196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.878196 (E_RNA)
where:
Base-Base interactions energy: -162.157
where: short stacking energy: -63.120
Base-Backbone interact. energy: -0.282
local terms energy: -69.438748
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -11.426
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: 8
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -201.162030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.162030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.162030 (E_RNA)
where:
Base-Base interactions energy: -122.839
where: short stacking energy: -62.113
Base-Backbone interact. energy: -0.074
local terms energy: -78.249196
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -20.258
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -18.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -211.201383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.201383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.201383 (E_RNA)
where:
Base-Base interactions energy: -132.635
where: short stacking energy: -63.557
Base-Backbone interact. energy: -0.791
local terms energy: -77.775792
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -19.158
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -16.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -189.155257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.155257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.155257 (E_RNA)
where:
Base-Base interactions energy: -126.628
where: short stacking energy: -54.292
Base-Backbone interact. energy: -0.166
local terms energy: -62.361531
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -8.720
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -11.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -177.099007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.099007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.099007 (E_RNA)
where:
Base-Base interactions energy: -104.821
where: short stacking energy: -49.250
Base-Backbone interact. energy: -0.400
local terms energy: -71.877977
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -13.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -179.569080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.569080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.569080 (E_RNA)
where:
Base-Base interactions energy: -112.165
where: short stacking energy: -57.512
Base-Backbone interact. energy: -0.031
local terms energy: -67.373698
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -10.325
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -16.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -98.580505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.580505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.580505 (E_RNA)
where:
Base-Base interactions energy: -42.791
where: short stacking energy: -35.198
Base-Backbone interact. energy: -0.150
local terms energy: -55.639187
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: 3.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -95.682517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.682517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.682517 (E_RNA)
where:
Base-Base interactions energy: -42.849
where: short stacking energy: -34.400
Base-Backbone interact. energy: 3.105
local terms energy: -55.938160
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -9.485
flat angles P-C4'-P energy: -11.937
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: 10, replica: 6
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -77.377827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.377827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.377827 (E_RNA)
where:
Base-Base interactions energy: -24.955
where: short stacking energy: -21.986
Base-Backbone interact. energy: -0.215
local terms energy: -52.207018
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -10.930
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: 0.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -240.777502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.777502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.777502 (E_RNA)
where:
Base-Base interactions energy: -162.284
where: short stacking energy: -74.055
Base-Backbone interact. energy: -0.512
local terms energy: -77.980912
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -12.471
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: 2, replica: 5
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -246.998116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.998116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.998116 (E_RNA)
where:
Base-Base interactions energy: -171.656
where: short stacking energy: -76.617
Base-Backbone interact. energy: 0.573
local terms energy: -75.915380
where:
bonds (distance) C4'-P energy: -15.724
bonds (distance) P-C4' energy: -17.512
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -15.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -211.396817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.396817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.396817 (E_RNA)
where:
Base-Base interactions energy: -135.541
where: short stacking energy: -57.488
Base-Backbone interact. energy: -0.134
local terms energy: -75.721531
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -20.025
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -13.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -214.280330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.280330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.280330 (E_RNA)
where:
Base-Base interactions energy: -137.523
where: short stacking energy: -66.774
Base-Backbone interact. energy: -0.332
local terms energy: -76.425151
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -16.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -183.960197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.960197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.960197 (E_RNA)
where:
Base-Base interactions energy: -117.214
where: short stacking energy: -59.814
Base-Backbone interact. energy: 1.673
local terms energy: -68.419177
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -13.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -183.341010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.341010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.341010 (E_RNA)
where:
Base-Base interactions energy: -116.686
where: short stacking energy: -56.144
Base-Backbone interact. energy: -0.072
local terms energy: -66.583373
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -13.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -178.654524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.654524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.654524 (E_RNA)
where:
Base-Base interactions energy: -103.467
where: short stacking energy: -48.186
Base-Backbone interact. energy: -0.119
local terms energy: -75.068313
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -19.162
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -16.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -99.060982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.060982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.060982 (E_RNA)
where:
Base-Base interactions energy: -43.447
where: short stacking energy: -36.609
Base-Backbone interact. energy: -0.122
local terms energy: -55.492750
where:
bonds (distance) C4'-P energy: -9.509
bonds (distance) P-C4' energy: -18.470
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -8.248
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: 9, replica: 9
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -91.117136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.117136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.117136 (E_RNA)
where:
Base-Base interactions energy: -32.112
where: short stacking energy: -31.620
Base-Backbone interact. energy: -0.108
local terms energy: -58.897494
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -5.745
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: 6
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -93.540278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.540278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.540278 (E_RNA)
where:
Base-Base interactions energy: -48.142
where: short stacking energy: -19.151
Base-Backbone interact. energy: 0.361
local terms energy: -45.759443
where:
bonds (distance) C4'-P energy: -7.878
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -9.410
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: 5
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -237.121550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.121550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.121550 (E_RNA)
where:
Base-Base interactions energy: -162.245
where: short stacking energy: -68.499
Base-Backbone interact. energy: 0.492
local terms energy: -75.368895
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -15.411
tors. eta vs tors. theta energy: -13.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -231.570116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.570116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.570116 (E_RNA)
where:
Base-Base interactions energy: -154.809
where: short stacking energy: -62.263
Base-Backbone interact. energy: -0.404
local terms energy: -76.356843
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -18.852
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -13.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -220.757684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.757684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.757684 (E_RNA)
where:
Base-Base interactions energy: -148.704
where: short stacking energy: -69.694
Base-Backbone interact. energy: -0.438
local terms energy: -71.616139
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -14.161
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -11.531
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: 4, replica: 8
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -198.876898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.876898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.876898 (E_RNA)
where:
Base-Base interactions energy: -121.952
where: short stacking energy: -64.988
Base-Backbone interact. energy: -0.813
local terms energy: -76.111363
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -16.863
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: -17.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -190.687065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.687065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.687065 (E_RNA)
where:
Base-Base interactions energy: -111.221
where: short stacking energy: -61.545
Base-Backbone interact. energy: -0.194
local terms energy: -79.272514
where:
bonds (distance) C4'-P energy: -16.631
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -18.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -171.165744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.165744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.165744 (E_RNA)
where:
Base-Base interactions energy: -109.501
where: short stacking energy: -47.660
Base-Backbone interact. energy: -0.245
local terms energy: -61.419412
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -11.054
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -8.924
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: 7, replica: 4
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -166.600480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.600480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.600480 (E_RNA)
where:
Base-Base interactions energy: -108.247
where: short stacking energy: -55.083
Base-Backbone interact. energy: -0.012
local terms energy: -58.341588
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -12.493
flat angles C4'-P-C4' energy: -8.855
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -14.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -88.960034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.960034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.960034 (E_RNA)
where:
Base-Base interactions energy: -28.761
where: short stacking energy: -28.761
Base-Backbone interact. energy: -0.155
local terms energy: -60.043870
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -8.755
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: 9, replica: 9
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -85.818520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.818520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.818520 (E_RNA)
where:
Base-Base interactions energy: -31.981
where: short stacking energy: -21.400
Base-Backbone interact. energy: -0.666
local terms energy: -53.171505
where:
bonds (distance) C4'-P energy: -11.294
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -3.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -86.618345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.618345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.618345 (E_RNA)
where:
Base-Base interactions energy: -42.283
where: short stacking energy: -32.818
Base-Backbone interact. energy: -0.111
local terms energy: -44.223736
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -4.216
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: 1, replica: 5
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -236.232772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.232772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.232772 (E_RNA)
where:
Base-Base interactions energy: -165.255
where: short stacking energy: -67.570
Base-Backbone interact. energy: -0.773
local terms energy: -70.204688
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -13.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -226.824267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.824267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.824267 (E_RNA)
where:
Base-Base interactions energy: -150.955
where: short stacking energy: -71.556
Base-Backbone interact. energy: -0.266
local terms energy: -75.603671
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -16.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -218.671354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.671354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.671354 (E_RNA)
where:
Base-Base interactions energy: -147.350
where: short stacking energy: -63.312
Base-Backbone interact. energy: 0.918
local terms energy: -72.239325
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -14.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -200.986479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.986479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.986479 (E_RNA)
where:
Base-Base interactions energy: -116.729
where: short stacking energy: -65.016
Base-Backbone interact. energy: 0.504
local terms energy: -84.761986
where:
bonds (distance) C4'-P energy: -17.674
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -10.925
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: 5, replica: 8
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -203.380785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.380785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.380785 (E_RNA)
where:
Base-Base interactions energy: -120.017
where: short stacking energy: -63.818
Base-Backbone interact. energy: -0.233
local terms energy: -83.130656
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -20.220
flat angles P-C4'-P energy: -13.824
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: 6, replica: 2
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -173.185249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.185249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.185249 (E_RNA)
where:
Base-Base interactions energy: -108.353
where: short stacking energy: -56.743
Base-Backbone interact. energy: -0.080
local terms energy: -64.751570
where:
bonds (distance) C4'-P energy: -10.991
bonds (distance) P-C4' energy: -8.984
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -9.376
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: 7, replica: 4
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -152.655994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.655994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.655994 (E_RNA)
where:
Base-Base interactions energy: -95.116
where: short stacking energy: -44.682
Base-Backbone interact. energy: -0.357
local terms energy: -57.182280
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -8.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -84.261957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.261957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.261957 (E_RNA)
where:
Base-Base interactions energy: -33.505
where: short stacking energy: -30.984
Base-Backbone interact. energy: -0.309
local terms energy: -50.447964
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -11.082
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -0.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -90.390310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.390310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.390310 (E_RNA)
where:
Base-Base interactions energy: -38.265
where: short stacking energy: -37.473
Base-Backbone interact. energy: 0.390
local terms energy: -52.515272
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -10.779
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -7.227
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: 6
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -88.181196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.181196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.181196 (E_RNA)
where:
Base-Base interactions energy: -47.278
where: short stacking energy: -37.690
Base-Backbone interact. energy: -0.230
local terms energy: -40.672696
where:
bonds (distance) C4'-P energy: -9.318
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -10.038
flat angles P-C4'-P energy: -3.354
tors. eta vs tors. theta energy: -4.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -239.081210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.081210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.081210 (E_RNA)
where:
Base-Base interactions energy: -167.097
where: short stacking energy: -71.428
Base-Backbone interact. energy: -0.504
local terms energy: -71.480166
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -13.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -240.867049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.867049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.867049 (E_RNA)
where:
Base-Base interactions energy: -159.714
where: short stacking energy: -69.808
Base-Backbone interact. energy: -0.636
local terms energy: -80.517032
where:
bonds (distance) C4'-P energy: -19.589
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -12.509
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: 3, replica: 10
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -194.183766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.183766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.183766 (E_RNA)
where:
Base-Base interactions energy: -116.320
where: short stacking energy: -61.692
Base-Backbone interact. energy: 0.096
local terms energy: -77.960278
where:
bonds (distance) C4'-P energy: -19.321
bonds (distance) P-C4' energy: -17.670
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -14.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -210.691681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.691681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.691681 (E_RNA)
where:
Base-Base interactions energy: -130.748
where: short stacking energy: -67.506
Base-Backbone interact. energy: -0.206
local terms energy: -79.738237
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -18.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -185.912109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.912109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.912109 (E_RNA)
where:
Base-Base interactions energy: -109.676
where: short stacking energy: -56.701
Base-Backbone interact. energy: -0.888
local terms energy: -75.348277
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -14.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -183.480967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.480967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.480967 (E_RNA)
where:
Base-Base interactions energy: -115.782
where: short stacking energy: -54.595
Base-Backbone interact. energy: 0.776
local terms energy: -68.475378
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -3.310
tors. eta vs tors. theta energy: -15.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -182.331043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.331043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.331043 (E_RNA)
where:
Base-Base interactions energy: -109.595
where: short stacking energy: -61.608
Base-Backbone interact. energy: -0.571
local terms energy: -72.165577
where:
bonds (distance) C4'-P energy: -10.063
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -11.459
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: 8, replica: 9
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -93.274309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.274309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.274309 (E_RNA)
where:
Base-Base interactions energy: -35.626
where: short stacking energy: -32.721
Base-Backbone interact. energy: 2.102
local terms energy: -59.749936
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -9.346
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: 9, replica: 6
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -89.127407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.127407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.127407 (E_RNA)
where:
Base-Base interactions energy: -34.334
where: short stacking energy: -33.483
Base-Backbone interact. energy: 0.601
local terms energy: -55.394753
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -6.407
tors. eta vs tors. theta energy: -3.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -86.403205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.403205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.403205 (E_RNA)
where:
Base-Base interactions energy: -34.444
where: short stacking energy: -14.514
Base-Backbone interact. energy: -0.342
local terms energy: -51.616788
where:
bonds (distance) C4'-P energy: -18.224
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: 2.752
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: 3
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -236.715311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.715311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.715311 (E_RNA)
where:
Base-Base interactions energy: -164.636
where: short stacking energy: -66.940
Base-Backbone interact. energy: -1.109
local terms energy: -70.970381
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -11.087
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: 2, replica: 5
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -240.739435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.739435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.739435 (E_RNA)
where:
Base-Base interactions energy: -167.260
where: short stacking energy: -65.161
Base-Backbone interact. energy: -0.824
local terms energy: -72.656116
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -10.876
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: 3, replica: 10
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -201.925737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.925737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.925737 (E_RNA)
where:
Base-Base interactions energy: -128.776
where: short stacking energy: -69.258
Base-Backbone interact. energy: -0.005
local terms energy: -73.145075
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -18.526
flat angles C4'-P-C4' energy: -18.767
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: -17.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -211.749782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.749782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.749782 (E_RNA)
where:
Base-Base interactions energy: -134.110
where: short stacking energy: -68.818
Base-Backbone interact. energy: -0.100
local terms energy: -77.539194
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -19.749
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -17.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -185.328732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.328732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.328732 (E_RNA)
where:
Base-Base interactions energy: -111.817
where: short stacking energy: -48.570
Base-Backbone interact. energy: 0.083
local terms energy: -73.594745
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -14.033
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: 8
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -208.882866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.882866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.882866 (E_RNA)
where:
Base-Base interactions energy: -126.987
where: short stacking energy: -65.832
Base-Backbone interact. energy: -2.114
local terms energy: -79.781137
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -12.401
tors. eta vs tors. theta energy: -20.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -179.603717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.603717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.603717 (E_RNA)
where:
Base-Base interactions energy: -102.048
where: short stacking energy: -57.220
Base-Backbone interact. energy: -0.695
local terms energy: -76.860549
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -15.525
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -12.149
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: 8, replica: 6
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -109.976157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.976157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.976157 (E_RNA)
where:
Base-Base interactions energy: -47.586
where: short stacking energy: -47.586
Base-Backbone interact. energy: 0.103
local terms energy: -62.493391
where:
bonds (distance) C4'-P energy: -8.483
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -8.659
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: 9, replica: 9
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -90.828259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.828259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.828259 (E_RNA)
where:
Base-Base interactions energy: -41.337
where: short stacking energy: -35.350
Base-Backbone interact. energy: -0.250
local terms energy: -49.241090
where:
bonds (distance) C4'-P energy: -12.867
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -7.442
flat angles P-C4'-P energy: -10.965
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: 10, replica: 7
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -84.916049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.916049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.916049 (E_RNA)
where:
Base-Base interactions energy: -29.598
where: short stacking energy: -27.950
Base-Backbone interact. energy: -0.606
local terms energy: -54.712710
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -2.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -241.313011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.313011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.313011 (E_RNA)
where:
Base-Base interactions energy: -173.182
where: short stacking energy: -68.623
Base-Backbone interact. energy: -0.673
local terms energy: -67.458132
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -13.556
tors. eta vs tors. theta energy: -12.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -233.501834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.501834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.501834 (E_RNA)
where:
Base-Base interactions energy: -151.735
where: short stacking energy: -63.769
Base-Backbone interact. energy: -1.724
local terms energy: -80.042643
where:
bonds (distance) C4'-P energy: -18.214
bonds (distance) P-C4' energy: -18.001
flat angles C4'-P-C4' energy: -18.305
flat angles P-C4'-P energy: -10.468
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: 3, replica: 1
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -230.167741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.167741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.167741 (E_RNA)
where:
Base-Base interactions energy: -144.820
where: short stacking energy: -74.797
Base-Backbone interact. energy: -0.138
local terms energy: -85.210080
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -19.994
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -21.292
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: 10
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -191.923939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.923939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.923939 (E_RNA)
where:
Base-Base interactions energy: -116.701
where: short stacking energy: -61.528
Base-Backbone interact. energy: -0.126
local terms energy: -75.096327
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -18.311
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -14.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -183.004572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.004572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.004572 (E_RNA)
where:
Base-Base interactions energy: -113.240
where: short stacking energy: -49.832
Base-Backbone interact. energy: -0.890
local terms energy: -68.874118
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -10.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -175.190644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.190644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.190644 (E_RNA)
where:
Base-Base interactions energy: -112.691
where: short stacking energy: -58.387
Base-Backbone interact. energy: -0.170
local terms energy: -62.329224
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -15.972
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -5.588
tors. eta vs tors. theta energy: -11.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -155.030109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.030109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.030109 (E_RNA)
where:
Base-Base interactions energy: -93.819
where: short stacking energy: -52.020
Base-Backbone interact. energy: -0.126
local terms energy: -61.084922
where:
bonds (distance) C4'-P energy: -11.442
bonds (distance) P-C4' energy: -14.027
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -9.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -99.687447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.687447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.687447 (E_RNA)
where:
Base-Base interactions energy: -37.383
where: short stacking energy: -36.489
Base-Backbone interact. energy: -0.066
local terms energy: -62.238392
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -8.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -75.479904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.479904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.479904 (E_RNA)
where:
Base-Base interactions energy: -29.215
where: short stacking energy: -13.063
Base-Backbone interact. energy: -1.162
local terms energy: -45.103080
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -3.723
tors. eta vs tors. theta energy: 6.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -89.590363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.590363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.590363 (E_RNA)
where:
Base-Base interactions energy: -35.445
where: short stacking energy: -35.445
Base-Backbone interact. energy: -0.011
local terms energy: -54.134618
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -11.910
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -8.936
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: 5
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -243.337973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.337973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.337973 (E_RNA)
where:
Base-Base interactions energy: -166.262
where: short stacking energy: -68.042
Base-Backbone interact. energy: -0.735
local terms energy: -76.341037
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -12.539
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: 1
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -229.486254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.486254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.486254 (E_RNA)
where:
Base-Base interactions energy: -147.326
where: short stacking energy: -77.130
Base-Backbone interact. energy: -0.001
local terms energy: -82.159400
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -19.489
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -22.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -228.507883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.507883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.507883 (E_RNA)
where:
Base-Base interactions energy: -157.278
where: short stacking energy: -69.524
Base-Backbone interact. energy: -1.018
local terms energy: -70.211684
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -11.382
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -16.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -182.058560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.058560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.058560 (E_RNA)
where:
Base-Base interactions energy: -117.867
where: short stacking energy: -55.017
Base-Backbone interact. energy: -0.591
local terms energy: -63.601140
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -11.870
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -14.095
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: 5, replica: 10
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -180.732234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.732234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.732234 (E_RNA)
where:
Base-Base interactions energy: -109.921
where: short stacking energy: -56.231
Base-Backbone interact. energy: -0.154
local terms energy: -70.657350
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -14.374
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: 305
Temperature: 1.150000
Total energy: -162.928681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.928681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.928681 (E_RNA)
where:
Base-Base interactions energy: -95.467
where: short stacking energy: -53.446
Base-Backbone interact. energy: 0.987
local terms energy: -68.448832
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -10.777
flat angles P-C4'-P energy: -12.646
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: 7, replica: 2
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -173.601788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.601788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.601788 (E_RNA)
where:
Base-Base interactions energy: -104.414
where: short stacking energy: -57.040
Base-Backbone interact. energy: -0.701
local terms energy: -68.486918
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: -13.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -94.326325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.326325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.326325 (E_RNA)
where:
Base-Base interactions energy: -38.388
where: short stacking energy: -27.793
Base-Backbone interact. energy: -0.349
local terms energy: -55.589470
where:
bonds (distance) C4'-P energy: -12.424
bonds (distance) P-C4' energy: -16.717
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -1.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -92.394106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.394106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.394106 (E_RNA)
where:
Base-Base interactions energy: -38.767
where: short stacking energy: -26.354
Base-Backbone interact. energy: -0.204
local terms energy: -53.423809
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -11.441
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -1.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -76.708579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.708579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.708579 (E_RNA)
where:
Base-Base interactions energy: -25.723
where: short stacking energy: -21.796
Base-Backbone interact. energy: -0.148
local terms energy: -50.837789
where:
bonds (distance) C4'-P energy: -15.963
bonds (distance) P-C4' energy: -10.183
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: 1.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -230.850785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.850785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.850785 (E_RNA)
where:
Base-Base interactions energy: -151.687
where: short stacking energy: -75.862
Base-Backbone interact. energy: -0.659
local terms energy: -78.504383
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -19.168
flat angles P-C4'-P energy: -10.858
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: 2, replica: 5
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -226.105725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.105725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.105725 (E_RNA)
where:
Base-Base interactions energy: -170.941
where: short stacking energy: -68.703
Base-Backbone interact. energy: 0.515
local terms energy: -55.680044
where:
bonds (distance) C4'-P energy: -9.744
bonds (distance) P-C4' energy: -12.239
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -10.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -226.971818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.971818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.971818 (E_RNA)
where:
Base-Base interactions energy: -161.557
where: short stacking energy: -68.213
Base-Backbone interact. energy: -0.394
local terms energy: -65.020794
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -15.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -186.417427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.417427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.417427 (E_RNA)
where:
Base-Base interactions energy: -112.689
where: short stacking energy: -65.102
Base-Backbone interact. energy: -0.205
local terms energy: -73.523493
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -15.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -190.568078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.568078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.568078 (E_RNA)
where:
Base-Base interactions energy: -120.008
where: short stacking energy: -61.289
Base-Backbone interact. energy: -0.384
local terms energy: -70.176238
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -6.322
tors. eta vs tors. theta energy: -15.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -170.329457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.329457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.329457 (E_RNA)
where:
Base-Base interactions energy: -98.024
where: short stacking energy: -52.740
Base-Backbone interact. energy: -0.500
local terms energy: -71.804751
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -18.658
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -12.547
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: 7, replica: 2
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -172.740104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.740104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.740104 (E_RNA)
where:
Base-Base interactions energy: -97.521
where: short stacking energy: -46.491
Base-Backbone interact. energy: -0.517
local terms energy: -74.702108
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -11.748
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: 6
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -111.876339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.876339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.876339 (E_RNA)
where:
Base-Base interactions energy: -48.805
where: short stacking energy: -38.039
Base-Backbone interact. energy: -0.123
local terms energy: -62.947823
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -11.895
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -6.416
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: 9, replica: 7
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -98.644309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.644309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.644309 (E_RNA)
where:
Base-Base interactions energy: -42.217
where: short stacking energy: -36.376
Base-Backbone interact. energy: -0.655
local terms energy: -55.772774
where:
bonds (distance) C4'-P energy: -18.291
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: 1.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -77.025208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.025208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.025208 (E_RNA)
where:
Base-Base interactions energy: -26.146
where: short stacking energy: -22.347
Base-Backbone interact. energy: 1.401
local terms energy: -52.280261
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -15.475
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: 1.144
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: 1
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -218.329898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.329898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.329898 (E_RNA)
where:
Base-Base interactions energy: -139.055
where: short stacking energy: -67.065
Base-Backbone interact. energy: -0.613
local terms energy: -78.661876
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -17.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -236.330142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.330142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.330142 (E_RNA)
where:
Base-Base interactions energy: -158.132
where: short stacking energy: -70.265
Base-Backbone interact. energy: -1.796
local terms energy: -76.401658
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -15.785
flat angles C4'-P-C4' energy: -18.135
flat angles P-C4'-P energy: -8.905
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: 3, replica: 5
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -236.017122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.017122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.017122 (E_RNA)
where:
Base-Base interactions energy: -153.926
where: short stacking energy: -70.785
Base-Backbone interact. energy: -1.500
local terms energy: -80.591319
where:
bonds (distance) C4'-P energy: -16.990
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -16.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -182.842405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.842405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.842405 (E_RNA)
where:
Base-Base interactions energy: -110.889
where: short stacking energy: -54.991
Base-Backbone interact. energy: -0.239
local terms energy: -71.714201
where:
bonds (distance) C4'-P energy: -19.040
bonds (distance) P-C4' energy: -11.145
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -13.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -189.544163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.544163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.544163 (E_RNA)
where:
Base-Base interactions energy: -118.417
where: short stacking energy: -53.546
Base-Backbone interact. energy: -1.138
local terms energy: -69.988258
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -19.557
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -12.574
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: 4
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -180.798605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.798605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.798605 (E_RNA)
where:
Base-Base interactions energy: -121.618
where: short stacking energy: -60.990
Base-Backbone interact. energy: -0.259
local terms energy: -58.921332
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -8.720
flat angles C4'-P-C4' energy: -12.005
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -15.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -158.015146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.015146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.015146 (E_RNA)
where:
Base-Base interactions energy: -92.826
where: short stacking energy: -41.573
Base-Backbone interact. energy: -0.150
local terms energy: -65.038736
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -9.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -88.255988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.255988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.255988 (E_RNA)
where:
Base-Base interactions energy: -52.608
where: short stacking energy: -22.753
Base-Backbone interact. energy: 0.458
local terms energy: -36.106136
where:
bonds (distance) C4'-P energy: -5.669
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -6.023
tors. eta vs tors. theta energy: 1.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -86.461782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.461782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.461782 (E_RNA)
where:
Base-Base interactions energy: -34.797
where: short stacking energy: -34.641
Base-Backbone interact. energy: -0.092
local terms energy: -51.572474
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -0.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -86.808030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.808030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.808030 (E_RNA)
where:
Base-Base interactions energy: -37.037
where: short stacking energy: -32.917
Base-Backbone interact. energy: -0.222
local terms energy: -49.549293
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -4.511
tors. eta vs tors. theta energy: -3.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -235.526040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.526040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.526040 (E_RNA)
where:
Base-Base interactions energy: -164.105
where: short stacking energy: -67.511
Base-Backbone interact. energy: -0.133
local terms energy: -71.288315
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -14.526
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: 1
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -212.867649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.867649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.867649 (E_RNA)
where:
Base-Base interactions energy: -134.521
where: short stacking energy: -62.701
Base-Backbone interact. energy: -1.012
local terms energy: -77.334645
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -17.145
flat angles C4'-P-C4' energy: -18.967
flat angles P-C4'-P energy: -11.372
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: 3, replica: 5
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -220.650742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.650742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.650742 (E_RNA)
where:
Base-Base interactions energy: -139.478
where: short stacking energy: -59.595
Base-Backbone interact. energy: -1.379
local terms energy: -79.792904
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -18.334
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: -14.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -200.442562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.442562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.442562 (E_RNA)
where:
Base-Base interactions energy: -134.700
where: short stacking energy: -62.141
Base-Backbone interact. energy: -0.315
local terms energy: -65.427854
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -10.774
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -16.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -178.606644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.606644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.606644 (E_RNA)
where:
Base-Base interactions energy: -110.897
where: short stacking energy: -55.855
Base-Backbone interact. energy: 1.344
local terms energy: -69.053510
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -12.328
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: 8
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -176.452369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.452369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.452369 (E_RNA)
where:
Base-Base interactions energy: -110.192
where: short stacking energy: -51.487
Base-Backbone interact. energy: -0.221
local terms energy: -66.039193
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -13.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -97.869529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.869529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.869529 (E_RNA)
where:
Base-Base interactions energy: -41.487
where: short stacking energy: -33.973
Base-Backbone interact. energy: -0.400
local terms energy: -55.982879
where:
bonds (distance) C4'-P energy: -9.334
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -8.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -124.163995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.163995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.163995 (E_RNA)
where:
Base-Base interactions energy: -65.370
where: short stacking energy: -31.766
Base-Backbone interact. energy: -0.101
local terms energy: -58.693032
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -6.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -82.012394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.012394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.012394 (E_RNA)
where:
Base-Base interactions energy: -31.767
where: short stacking energy: -20.820
Base-Backbone interact. energy: 0.687
local terms energy: -50.932070
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -3.486
tors. eta vs tors. theta energy: 0.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -84.382803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.382803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.382803 (E_RNA)
where:
Base-Base interactions energy: -25.978
where: short stacking energy: -22.277
Base-Backbone interact. energy: -0.830
local terms energy: -57.574319
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -2.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -242.584271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.584271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.584271 (E_RNA)
where:
Base-Base interactions energy: -160.346
where: short stacking energy: -68.955
Base-Backbone interact. energy: -0.633
local terms energy: -81.605526
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -14.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -225.688573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.688573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.688573 (E_RNA)
where:
Base-Base interactions energy: -159.235
where: short stacking energy: -63.121
Base-Backbone interact. energy: -0.402
local terms energy: -66.051969
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -12.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -208.301958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.301958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.301958 (E_RNA)
where:
Base-Base interactions energy: -130.847
where: short stacking energy: -63.526
Base-Backbone interact. energy: -0.607
local terms energy: -76.848129
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -16.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -199.523240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.523240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.523240 (E_RNA)
where:
Base-Base interactions energy: -119.627
where: short stacking energy: -57.761
Base-Backbone interact. energy: -0.006
local terms energy: -79.889598
where:
bonds (distance) C4'-P energy: -16.629
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -19.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -170.392705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.392705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.392705 (E_RNA)
where:
Base-Base interactions energy: -100.876
where: short stacking energy: -53.333
Base-Backbone interact. energy: -2.027
local terms energy: -67.489258
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -11.789
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: 6, replica: 8
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -178.909083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.909083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.909083 (E_RNA)
where:
Base-Base interactions energy: -109.736
where: short stacking energy: -35.260
Base-Backbone interact. energy: -0.427
local terms energy: -68.745860
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -6.243
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: 6
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -96.289095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.289095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.289095 (E_RNA)
where:
Base-Base interactions energy: -35.621
where: short stacking energy: -35.460
Base-Backbone interact. energy: -0.600
local terms energy: -60.068653
where:
bonds (distance) C4'-P energy: -17.554
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -5.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -95.902490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.902490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.902490 (E_RNA)
where:
Base-Base interactions energy: -34.723
where: short stacking energy: -34.310
Base-Backbone interact. energy: 0.844
local terms energy: -62.023110
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -12.161
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: 2
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -88.198759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.198759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.198759 (E_RNA)
where:
Base-Base interactions energy: -36.243
where: short stacking energy: -36.053
Base-Backbone interact. energy: -0.516
local terms energy: -51.439673
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -10.755
flat angles P-C4'-P energy: -7.583
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: 10, replica: 7
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -82.609339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.609339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.609339 (E_RNA)
where:
Base-Base interactions energy: -27.941
where: short stacking energy: -25.834
Base-Backbone interact. energy: -0.110
local terms energy: -54.558838
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -8.263
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: 3
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -245.718061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.718061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.718061 (E_RNA)
where:
Base-Base interactions energy: -167.240
where: short stacking energy: -73.190
Base-Backbone interact. energy: -0.851
local terms energy: -77.626536
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -18.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -218.664312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.664312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.664312 (E_RNA)
where:
Base-Base interactions energy: -143.958
where: short stacking energy: -56.949
Base-Backbone interact. energy: -0.576
local terms energy: -74.130543
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -18.851
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -11.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -210.564229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.564229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.564229 (E_RNA)
where:
Base-Base interactions energy: -134.593
where: short stacking energy: -63.164
Base-Backbone interact. energy: -0.726
local terms energy: -75.245557
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -17.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -188.397022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.397022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.397022 (E_RNA)
where:
Base-Base interactions energy: -113.705
where: short stacking energy: -44.387
Base-Backbone interact. energy: -0.150
local terms energy: -74.542145
where:
bonds (distance) C4'-P energy: -20.161
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -14.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -203.708170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.708170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.708170 (E_RNA)
where:
Base-Base interactions energy: -128.565
where: short stacking energy: -69.171
Base-Backbone interact. energy: -0.335
local terms energy: -74.808552
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -21.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -180.677091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.677091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.677091 (E_RNA)
where:
Base-Base interactions energy: -115.473
where: short stacking energy: -58.772
Base-Backbone interact. energy: 1.695
local terms energy: -66.899133
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -13.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -99.337705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.337705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.337705 (E_RNA)
where:
Base-Base interactions energy: -40.728
where: short stacking energy: -36.751
Base-Backbone interact. energy: -0.104
local terms energy: -58.505189
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -9.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -91.404982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.404982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.404982 (E_RNA)
where:
Base-Base interactions energy: -45.387
where: short stacking energy: -27.869
Base-Backbone interact. energy: -0.179
local terms energy: -45.838388
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -9.908
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -3.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -90.746175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.746175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.746175 (E_RNA)
where:
Base-Base interactions energy: -33.424
where: short stacking energy: -30.939
Base-Backbone interact. energy: -0.121
local terms energy: -57.200603
where:
bonds (distance) C4'-P energy: -10.122
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -4.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -86.971423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.971423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.971423 (E_RNA)
where:
Base-Base interactions energy: -33.845
where: short stacking energy: -32.177
Base-Backbone interact. energy: -0.094
local terms energy: -53.031845
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -5.230
tors. eta vs tors. theta energy: -5.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -246.160009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.160009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.160009 (E_RNA)
where:
Base-Base interactions energy: -165.810
where: short stacking energy: -71.827
Base-Backbone interact. energy: -0.405
local terms energy: -79.944749
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -14.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -220.627544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.627544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.627544 (E_RNA)
where:
Base-Base interactions energy: -139.842
where: short stacking energy: -64.414
Base-Backbone interact. energy: -0.958
local terms energy: -79.827402
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -17.869
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: 3, replica: 5
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -217.326905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.326905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.326905 (E_RNA)
where:
Base-Base interactions energy: -143.317
where: short stacking energy: -52.353
Base-Backbone interact. energy: -0.364
local terms energy: -73.645975
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: -12.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -214.049802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.049802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.049802 (E_RNA)
where:
Base-Base interactions energy: -142.408
where: short stacking energy: -65.879
Base-Backbone interact. energy: -1.312
local terms energy: -70.329712
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: -15.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -175.276712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.276712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.276712 (E_RNA)
where:
Base-Base interactions energy: -105.938
where: short stacking energy: -58.019
Base-Backbone interact. energy: -0.027
local terms energy: -69.311844
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -5.604
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: 4
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -167.100541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.100541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.100541 (E_RNA)
where:
Base-Base interactions energy: -111.422
where: short stacking energy: -49.636
Base-Backbone interact. energy: 0.069
local terms energy: -55.747615
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -5.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -95.872218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.872218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.872218 (E_RNA)
where:
Base-Base interactions energy: -40.323
where: short stacking energy: -32.737
Base-Backbone interact. energy: -0.173
local terms energy: -55.376394
where:
bonds (distance) C4'-P energy: -8.372
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -5.354
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: 2
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -88.268603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.268603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.268603 (E_RNA)
where:
Base-Base interactions energy: -36.696
where: short stacking energy: -33.074
Base-Backbone interact. energy: -0.345
local terms energy: -51.226679
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -1.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -75.009817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.009817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.009817 (E_RNA)
where:
Base-Base interactions energy: -28.864
where: short stacking energy: -27.838
Base-Backbone interact. energy: -0.472
local terms energy: -45.673181
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: 5.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -85.020475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.020475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.020475 (E_RNA)
where:
Base-Base interactions energy: -37.653
where: short stacking energy: -37.653
Base-Backbone interact. energy: -0.239
local terms energy: -47.128904
where:
bonds (distance) C4'-P energy: -6.827
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -5.667
tors. eta vs tors. theta energy: -3.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -246.685608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.685608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.685608 (E_RNA)
where:
Base-Base interactions energy: -166.883
where: short stacking energy: -71.319
Base-Backbone interact. energy: -0.366
local terms energy: -79.436167
where:
bonds (distance) C4'-P energy: -16.559
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -18.267
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -16.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -246.368989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.368989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.368989 (E_RNA)
where:
Base-Base interactions energy: -165.605
where: short stacking energy: -67.512
Base-Backbone interact. energy: 0.874
local terms energy: -81.638060
where:
bonds (distance) C4'-P energy: -17.668
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -18.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -217.737278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.737278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.737278 (E_RNA)
where:
Base-Base interactions energy: -137.623
where: short stacking energy: -57.194
Base-Backbone interact. energy: -0.128
local terms energy: -79.986706
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -19.479
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -19.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -212.285552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.285552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.285552 (E_RNA)
where:
Base-Base interactions energy: -147.058
where: short stacking energy: -51.181
Base-Backbone interact. energy: -0.494
local terms energy: -64.732784
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -9.368
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: 4
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -158.090379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.090379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.090379 (E_RNA)
where:
Base-Base interactions energy: -95.260
where: short stacking energy: -45.619
Base-Backbone interact. energy: -0.805
local terms energy: -62.025592
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -5.393
tors. eta vs tors. theta energy: -12.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -180.226345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.226345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.226345 (E_RNA)
where:
Base-Base interactions energy: -121.031
where: short stacking energy: -55.343
Base-Backbone interact. energy: -0.071
local terms energy: -59.124571
where:
bonds (distance) C4'-P energy: -9.276
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -5.097
tors. eta vs tors. theta energy: -19.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -100.178732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.178732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.178732 (E_RNA)
where:
Base-Base interactions energy: -44.405
where: short stacking energy: -41.474
Base-Backbone interact. energy: -0.086
local terms energy: -55.688486
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -16.699
flat angles C4'-P-C4' energy: -8.274
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -9.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -96.002297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.002297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.002297 (E_RNA)
where:
Base-Base interactions energy: -39.225
where: short stacking energy: -36.584
Base-Backbone interact. energy: -0.082
local terms energy: -56.695087
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -5.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -83.061811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.061811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.061811 (E_RNA)
where:
Base-Base interactions energy: -24.564
where: short stacking energy: -24.564
Base-Backbone interact. energy: -0.212
local terms energy: -58.285480
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -18.052
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -1.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -81.757219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.757219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.757219 (E_RNA)
where:
Base-Base interactions energy: -30.152
where: short stacking energy: -28.203
Base-Backbone interact. energy: -0.171
local terms energy: -51.434136
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -9.013
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: 3
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -247.204749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.204749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.204749 (E_RNA)
where:
Base-Base interactions energy: -165.839
where: short stacking energy: -69.464
Base-Backbone interact. energy: -1.671
local terms energy: -79.695173
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -18.799
flat angles P-C4'-P energy: -14.336
tors. eta vs tors. theta energy: -12.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -227.815936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.815936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.815936 (E_RNA)
where:
Base-Base interactions energy: -159.814
where: short stacking energy: -67.338
Base-Backbone interact. energy: 0.079
local terms energy: -68.081021
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -8.695
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: 3, replica: 8
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -223.019226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.019226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.019226 (E_RNA)
where:
Base-Base interactions energy: -143.266
where: short stacking energy: -61.206
Base-Backbone interact. energy: -0.147
local terms energy: -79.606012
where:
bonds (distance) C4'-P energy: -17.772
bonds (distance) P-C4' energy: -19.449
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -17.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -215.173841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.173841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.173841 (E_RNA)
where:
Base-Base interactions energy: -144.731
where: short stacking energy: -57.358
Base-Backbone interact. energy: 2.060
local terms energy: -72.503465
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -9.479
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: 4
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -171.054872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.054872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.054872 (E_RNA)
where:
Base-Base interactions energy: -102.492
where: short stacking energy: -48.293
Base-Backbone interact. energy: 0.450
local terms energy: -69.012989
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -6.268
tors. eta vs tors. theta energy: -15.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -192.608039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.608039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.608039 (E_RNA)
where:
Base-Base interactions energy: -123.052
where: short stacking energy: -56.068
Base-Backbone interact. energy: -0.306
local terms energy: -69.249257
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -14.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -107.099278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.099278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.099278 (E_RNA)
where:
Base-Base interactions energy: -45.200
where: short stacking energy: -38.129
Base-Backbone interact. energy: -0.014
local terms energy: -61.885597
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -9.265
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: 7
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -93.694640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.694640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.694640 (E_RNA)
where:
Base-Base interactions energy: -40.831
where: short stacking energy: -40.673
Base-Backbone interact. energy: -0.030
local terms energy: -52.833451
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -8.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -80.757536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.757536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.757536 (E_RNA)
where:
Base-Base interactions energy: -33.017
where: short stacking energy: -25.832
Base-Backbone interact. energy: -1.292
local terms energy: -46.448243
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -9.370
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: 4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -84.396071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.396071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.396071 (E_RNA)
where:
Base-Base interactions energy: -30.111
where: short stacking energy: -30.111
Base-Backbone interact. energy: -0.059
local terms energy: -54.226188
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -8.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -236.872646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.872646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.872646 (E_RNA)
where:
Base-Base interactions energy: -166.018
where: short stacking energy: -69.378
Base-Backbone interact. energy: -0.386
local terms energy: -70.468279
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -12.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -227.400331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.400331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.400331 (E_RNA)
where:
Base-Base interactions energy: -159.075
where: short stacking energy: -67.624
Base-Backbone interact. energy: -0.109
local terms energy: -68.215840
where:
bonds (distance) C4'-P energy: -9.628
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -17.302
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: 8
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -218.324047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.324047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.324047 (E_RNA)
where:
Base-Base interactions energy: -136.634
where: short stacking energy: -75.581
Base-Backbone interact. energy: -0.396
local terms energy: -81.293733
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -20.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -225.969562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.969562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.969562 (E_RNA)
where:
Base-Base interactions energy: -157.598
where: short stacking energy: -70.482
Base-Backbone interact. energy: -0.409
local terms energy: -67.961916
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -14.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -182.368773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.368773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.368773 (E_RNA)
where:
Base-Base interactions energy: -112.224
where: short stacking energy: -52.254
Base-Backbone interact. energy: -0.080
local terms energy: -70.064994
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -14.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -180.908347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.908347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.908347 (E_RNA)
where:
Base-Base interactions energy: -112.214
where: short stacking energy: -48.427
Base-Backbone interact. energy: -0.975
local terms energy: -67.720030
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -10.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -95.164640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.164640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.164640 (E_RNA)
where:
Base-Base interactions energy: -34.989
where: short stacking energy: -34.989
Base-Backbone interact. energy: -0.037
local terms energy: -60.138415
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -4.886
tors. eta vs tors. theta energy: -5.731
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: 7
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -88.062323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.062323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.062323 (E_RNA)
where:
Base-Base interactions energy: -33.702
where: short stacking energy: -25.802
Base-Backbone interact. energy: -1.147
local terms energy: -53.212845
where:
bonds (distance) C4'-P energy: -10.577
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -5.768
flat angles P-C4'-P energy: -11.892
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: 9, replica: 6
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -88.409910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.409910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.409910 (E_RNA)
where:
Base-Base interactions energy: -34.965
where: short stacking energy: -34.965
Base-Backbone interact. energy: -0.363
local terms energy: -53.082183
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -10.901
flat angles C4'-P-C4' energy: -11.070
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -7.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -89.417822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.417822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.417822 (E_RNA)
where:
Base-Base interactions energy: -40.630
where: short stacking energy: -29.257
Base-Backbone interact. energy: -0.120
local terms energy: -48.667863
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -11.424
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -4.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -249.658023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.658023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.658023 (E_RNA)
where:
Base-Base interactions energy: -172.223
where: short stacking energy: -73.298
Base-Backbone interact. energy: -0.378
local terms energy: -77.056404
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -15.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -215.567687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.567687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.567687 (E_RNA)
where:
Base-Base interactions energy: -135.951
where: short stacking energy: -75.682
Base-Backbone interact. energy: -0.445
local terms energy: -79.172432
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -8.168
flat angles C4'-P-C4' energy: -17.974
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -23.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -227.480629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.480629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.480629 (E_RNA)
where:
Base-Base interactions energy: -154.421
where: short stacking energy: -61.230
Base-Backbone interact. energy: -0.504
local terms energy: -72.556016
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -17.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -228.495216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.495216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.495216 (E_RNA)
where:
Base-Base interactions energy: -158.436
where: short stacking energy: -61.165
Base-Backbone interact. energy: -1.429
local terms energy: -68.629803
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -13.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -180.128033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.128033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.128033 (E_RNA)
where:
Base-Base interactions energy: -107.439
where: short stacking energy: -50.305
Base-Backbone interact. energy: -0.967
local terms energy: -71.721795
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -14.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -174.752184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.752184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.752184 (E_RNA)
where:
Base-Base interactions energy: -110.778
where: short stacking energy: -58.183
Base-Backbone interact. energy: -0.106
local terms energy: -63.868246
where:
bonds (distance) C4'-P energy: -9.649
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -11.442
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -13.966
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: 2
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -103.607712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.607712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.607712 (E_RNA)
where:
Base-Base interactions energy: -46.788
where: short stacking energy: -35.660
Base-Backbone interact. energy: 1.670
local terms energy: -58.490058
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -9.365
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -4.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -142.463667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.463667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.463667 (E_RNA)
where:
Base-Base interactions energy: -81.555
where: short stacking energy: -46.237
Base-Backbone interact. energy: -0.479
local terms energy: -60.429521
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -10.520
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: 9, replica: 7
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -91.469282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.469282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.469282 (E_RNA)
where:
Base-Base interactions energy: -40.004
where: short stacking energy: -39.818
Base-Backbone interact. energy: -0.398
local terms energy: -51.067823
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -10.559
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -3.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -98.118878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.118878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.118878 (E_RNA)
where:
Base-Base interactions energy: -49.329
where: short stacking energy: -26.193
Base-Backbone interact. energy: -0.216
local terms energy: -48.573497
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -8.640
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: 1, replica: 3
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -242.948142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.948142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.948142 (E_RNA)
where:
Base-Base interactions energy: -169.976
where: short stacking energy: -71.390
Base-Backbone interact. energy: -1.743
local terms energy: -71.229202
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -16.459
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: 8
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -223.373769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.373769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.373769 (E_RNA)
where:
Base-Base interactions energy: -132.674
where: short stacking energy: -73.675
Base-Backbone interact. energy: -0.043
local terms energy: -90.656560
where:
bonds (distance) C4'-P energy: -18.392
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -23.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -223.167443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.167443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.167443 (E_RNA)
where:
Base-Base interactions energy: -155.195
where: short stacking energy: -69.867
Base-Backbone interact. energy: -1.151
local terms energy: -66.821416
where:
bonds (distance) C4'-P energy: -11.252
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -11.932
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: 4, replica: 1
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -225.656538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.656538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.656538 (E_RNA)
where:
Base-Base interactions energy: -153.925
where: short stacking energy: -65.811
Base-Backbone interact. energy: -0.610
local terms energy: -71.120916
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -9.949
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -20.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -195.769078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.769078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.769078 (E_RNA)
where:
Base-Base interactions energy: -129.017
where: short stacking energy: -55.515
Base-Backbone interact. energy: -0.048
local terms energy: -66.704165
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -5.811
tors. eta vs tors. theta energy: -14.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -161.243225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.243225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.243225 (E_RNA)
where:
Base-Base interactions energy: -101.450
where: short stacking energy: -42.750
Base-Backbone interact. energy: -0.458
local terms energy: -59.335346
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -8.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -157.504333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.504333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.504333 (E_RNA)
where:
Base-Base interactions energy: -94.220
where: short stacking energy: -49.280
Base-Backbone interact. energy: -0.112
local terms energy: -63.172340
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -11.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -95.940768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.940768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.940768 (E_RNA)
where:
Base-Base interactions energy: -33.285
where: short stacking energy: -33.040
Base-Backbone interact. energy: -0.181
local terms energy: -62.474742
where:
bonds (distance) C4'-P energy: -17.253
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -1.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -105.972380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.972380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.972380 (E_RNA)
where:
Base-Base interactions energy: -38.126
where: short stacking energy: -30.235
Base-Backbone interact. energy: -0.113
local terms energy: -67.733501
where:
bonds (distance) C4'-P energy: -17.628
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -7.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -88.139877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.139877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.139877 (E_RNA)
where:
Base-Base interactions energy: -37.201
where: short stacking energy: -35.209
Base-Backbone interact. energy: 0.648
local terms energy: -51.586785
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -10.697
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -6.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -239.293590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.293590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.293590 (E_RNA)
where:
Base-Base interactions energy: -159.853
where: short stacking energy: -67.618
Base-Backbone interact. energy: -1.146
local terms energy: -78.295284
where:
bonds (distance) C4'-P energy: -18.895
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -15.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -231.950049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.950049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.950049 (E_RNA)
where:
Base-Base interactions energy: -150.192
where: short stacking energy: -75.940
Base-Backbone interact. energy: -0.330
local terms energy: -81.427219
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -19.720
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -18.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -216.842096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.842096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.842096 (E_RNA)
where:
Base-Base interactions energy: -133.340
where: short stacking energy: -70.651
Base-Backbone interact. energy: -0.017
local terms energy: -83.485874
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -19.203
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -19.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -217.824296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.824296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.824296 (E_RNA)
where:
Base-Base interactions energy: -139.491
where: short stacking energy: -71.839
Base-Backbone interact. energy: 0.318
local terms energy: -78.651919
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -22.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -186.524350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.524350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.524350 (E_RNA)
where:
Base-Base interactions energy: -117.487
where: short stacking energy: -62.995
Base-Backbone interact. energy: -0.058
local terms energy: -68.979702
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -12.217
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: 4
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -173.535326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.535326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.535326 (E_RNA)
where:
Base-Base interactions energy: -114.421
where: short stacking energy: -53.752
Base-Backbone interact. energy: -0.881
local terms energy: -58.233387
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -10.052
flat angles C4'-P-C4' energy: -18.160
flat angles P-C4'-P energy: -5.700
tors. eta vs tors. theta energy: -8.582
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: 6
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -146.757929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.757929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.757929 (E_RNA)
where:
Base-Base interactions energy: -87.510
where: short stacking energy: -43.939
Base-Backbone interact. energy: -0.126
local terms energy: -59.121772
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -5.040
tors. eta vs tors. theta energy: -10.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -88.189241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.189241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.189241 (E_RNA)
where:
Base-Base interactions energy: -34.916
where: short stacking energy: -34.916
Base-Backbone interact. energy: 1.173
local terms energy: -54.446162
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -17.829
flat angles C4'-P-C4' energy: -8.218
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -5.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -98.470215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.470215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.470215 (E_RNA)
where:
Base-Base interactions energy: -36.028
where: short stacking energy: -36.028
Base-Backbone interact. energy: -0.000
local terms energy: -62.441828
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -7.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -90.393557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.393557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.393557 (E_RNA)
where:
Base-Base interactions energy: -29.128
where: short stacking energy: -27.723
Base-Backbone interact. energy: -0.108
local terms energy: -61.157727
where:
bonds (distance) C4'-P energy: -18.140
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -7.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -230.289655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.289655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.289655 (E_RNA)
where:
Base-Base interactions energy: -154.005
where: short stacking energy: -67.853
Base-Backbone interact. energy: -0.655
local terms energy: -75.628936
where:
bonds (distance) C4'-P energy: -15.652
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -15.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -233.653392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.653392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.653392 (E_RNA)
where:
Base-Base interactions energy: -161.977
where: short stacking energy: -71.743
Base-Backbone interact. energy: -0.226
local terms energy: -71.450371
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -19.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -227.494131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.494131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.494131 (E_RNA)
where:
Base-Base interactions energy: -144.988
where: short stacking energy: -67.662
Base-Backbone interact. energy: -0.230
local terms energy: -82.276432
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -20.126
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -19.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -210.930809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.930809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.930809 (E_RNA)
where:
Base-Base interactions energy: -130.815
where: short stacking energy: -70.092
Base-Backbone interact. energy: -0.096
local terms energy: -80.020592
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -14.368
tors. eta vs tors. theta energy: -21.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -184.580289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.580289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.580289 (E_RNA)
where:
Base-Base interactions energy: -109.096
where: short stacking energy: -51.276
Base-Backbone interact. energy: -0.720
local terms energy: -74.763672
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -16.935
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -15.320
tors. eta vs tors. theta energy: -16.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -193.131946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.131946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.131946 (E_RNA)
where:
Base-Base interactions energy: -119.429
where: short stacking energy: -55.599
Base-Backbone interact. energy: -0.098
local terms energy: -73.605030
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -8.159
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: 7, replica: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -169.263863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.263863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.263863 (E_RNA)
where:
Base-Base interactions energy: -104.671
where: short stacking energy: -52.154
Base-Backbone interact. energy: -0.001
local terms energy: -64.592396
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -18.271
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -6.177
tors. eta vs tors. theta energy: -11.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -84.643132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.643132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.643132 (E_RNA)
where:
Base-Base interactions energy: -36.416
where: short stacking energy: -29.857
Base-Backbone interact. energy: -0.413
local terms energy: -47.814173
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -6.217
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: 318
Temperature: 1.300000
Total energy: -87.027369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.027369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.027369 (E_RNA)
where:
Base-Base interactions energy: -33.756
where: short stacking energy: -30.620
Base-Backbone interact. energy: -0.045
local terms energy: -53.226361
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -11.483
flat angles P-C4'-P energy: -11.008
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: 2
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -80.655038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.655038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.655038 (E_RNA)
where:
Base-Base interactions energy: -29.141
where: short stacking energy: -21.157
Base-Backbone interact. energy: -0.155
local terms energy: -51.358531
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -7.438
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: 1, replica: 3
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -229.557480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.557480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.557480 (E_RNA)
where:
Base-Base interactions energy: -158.442
where: short stacking energy: -57.295
Base-Backbone interact. energy: -0.567
local terms energy: -70.548096
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -12.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -234.570062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.570062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.570062 (E_RNA)
where:
Base-Base interactions energy: -153.003
where: short stacking energy: -69.564
Base-Backbone interact. energy: -0.548
local terms energy: -81.018582
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -16.506
flat angles C4'-P-C4' energy: -18.591
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -17.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -219.175470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.175470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.175470 (E_RNA)
where:
Base-Base interactions energy: -140.369
where: short stacking energy: -70.225
Base-Backbone interact. energy: -0.035
local terms energy: -78.770908
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -21.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -199.887133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.887133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.887133 (E_RNA)
where:
Base-Base interactions energy: -127.137
where: short stacking energy: -63.691
Base-Backbone interact. energy: -0.110
local terms energy: -72.639915
where:
bonds (distance) C4'-P energy: -18.277
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -16.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -197.775069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.775069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.775069 (E_RNA)
where:
Base-Base interactions energy: -126.434
where: short stacking energy: -59.774
Base-Backbone interact. energy: -0.131
local terms energy: -71.210501
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -20.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -183.607653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.607653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.607653 (E_RNA)
where:
Base-Base interactions energy: -124.246
where: short stacking energy: -47.104
Base-Backbone interact. energy: -0.159
local terms energy: -59.202810
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -11.169
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -11.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -141.203746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.203746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.203746 (E_RNA)
where:
Base-Base interactions energy: -76.894
where: short stacking energy: -40.225
Base-Backbone interact. energy: -1.103
local terms energy: -63.206422
where:
bonds (distance) C4'-P energy: -17.271
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -7.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -103.880719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.880719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.880719 (E_RNA)
where:
Base-Base interactions energy: -50.996
where: short stacking energy: -34.963
Base-Backbone interact. energy: -0.925
local terms energy: -51.960005
where:
bonds (distance) C4'-P energy: -7.998
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -6.793
tors. eta vs tors. theta energy: -5.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -84.921173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.921173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.921173 (E_RNA)
where:
Base-Base interactions energy: -36.621
where: short stacking energy: -35.259
Base-Backbone interact. energy: -0.239
local terms energy: -48.061441
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -8.926
flat angles P-C4'-P energy: -2.659
tors. eta vs tors. theta energy: -8.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -84.832162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.832162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.832162 (E_RNA)
where:
Base-Base interactions energy: -24.617
where: short stacking energy: -21.857
Base-Backbone interact. energy: -0.513
local terms energy: -59.702396
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -6.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -240.163270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.163270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.163270 (E_RNA)
where:
Base-Base interactions energy: -164.412
where: short stacking energy: -66.693
Base-Backbone interact. energy: -0.553
local terms energy: -75.198197
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -16.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -228.075423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.075423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.075423 (E_RNA)
where:
Base-Base interactions energy: -150.142
where: short stacking energy: -57.287
Base-Backbone interact. energy: -0.767
local terms energy: -77.166629
where:
bonds (distance) C4'-P energy: -19.564
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -13.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -231.554608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.554608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.554608 (E_RNA)
where:
Base-Base interactions energy: -147.856
where: short stacking energy: -74.862
Base-Backbone interact. energy: -0.036
local terms energy: -83.663189
where:
bonds (distance) C4'-P energy: -17.780
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -17.418
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -20.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -198.162093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.162093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.162093 (E_RNA)
where:
Base-Base interactions energy: -123.954
where: short stacking energy: -70.728
Base-Backbone interact. energy: -0.001
local terms energy: -74.207306
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -20.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -202.862741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.862741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.862741 (E_RNA)
where:
Base-Base interactions energy: -129.181
where: short stacking energy: -62.154
Base-Backbone interact. energy: -0.561
local terms energy: -73.121052
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -17.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -177.492207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.492207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.492207 (E_RNA)
where:
Base-Base interactions energy: -113.626
where: short stacking energy: -68.871
Base-Backbone interact. energy: -0.078
local terms energy: -63.788113
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: -13.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -163.885668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.885668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.885668 (E_RNA)
where:
Base-Base interactions energy: -97.669
where: short stacking energy: -51.303
Base-Backbone interact. energy: -0.712
local terms energy: -65.504054
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -12.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -92.959439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.959439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.959439 (E_RNA)
where:
Base-Base interactions energy: -43.669
where: short stacking energy: -38.959
Base-Backbone interact. energy: -0.184
local terms energy: -49.106710
where:
bonds (distance) C4'-P energy: -12.966
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -4.851
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: 9, replica: 2
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -86.695110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.695110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.695110 (E_RNA)
where:
Base-Base interactions energy: -26.675
where: short stacking energy: -25.338
Base-Backbone interact. energy: -0.212
local terms energy: -59.808321
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -0.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -90.276135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.276135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.276135 (E_RNA)
where:
Base-Base interactions energy: -46.182
where: short stacking energy: -39.809
Base-Backbone interact. energy: 1.976
local terms energy: -46.070187
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -3.065
tors. eta vs tors. theta energy: -4.737
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: 1, replica: 5
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -245.464411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.464411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.464411 (E_RNA)
where:
Base-Base interactions energy: -160.808
where: short stacking energy: -71.185
Base-Backbone interact. energy: -0.525
local terms energy: -84.131320
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -19.572
flat angles P-C4'-P energy: -13.633
tors. eta vs tors. theta energy: -15.835
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: 321
Temperature: 0.950000
Total energy: -231.205936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.205936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.205936 (E_RNA)
where:
Base-Base interactions energy: -152.595
where: short stacking energy: -71.741
Base-Backbone interact. energy: -0.189
local terms energy: -78.421594
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -18.657
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: 3, replica: 3
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -224.444851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.444851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.444851 (E_RNA)
where:
Base-Base interactions energy: -150.469
where: short stacking energy: -63.559
Base-Backbone interact. energy: -0.430
local terms energy: -73.545785
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -14.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -204.318944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.318944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.318944 (E_RNA)
where:
Base-Base interactions energy: -133.936
where: short stacking energy: -62.751
Base-Backbone interact. energy: -0.105
local terms energy: -70.278107
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -10.347
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: 5, replica: 8
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -202.707236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.707236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.707236 (E_RNA)
where:
Base-Base interactions energy: -120.675
where: short stacking energy: -67.492
Base-Backbone interact. energy: -0.308
local terms energy: -81.724258
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -23.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -178.420338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.420338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.420338 (E_RNA)
where:
Base-Base interactions energy: -116.558
where: short stacking energy: -45.996
Base-Backbone interact. energy: -0.070
local terms energy: -61.791696
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -15.161
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -10.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -142.593844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.593844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.593844 (E_RNA)
where:
Base-Base interactions energy: -86.089
where: short stacking energy: -46.872
Base-Backbone interact. energy: -0.435
local terms energy: -56.069642
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -6.169
tors. eta vs tors. theta energy: -4.936
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: 2
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -83.615323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.615323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.615323 (E_RNA)
where:
Base-Base interactions energy: -31.251
where: short stacking energy: -27.436
Base-Backbone interact. energy: -0.060
local terms energy: -52.304200
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -9.444
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -4.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -86.192216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.192216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.192216 (E_RNA)
where:
Base-Base interactions energy: -33.475
where: short stacking energy: -25.931
Base-Backbone interact. energy: -0.124
local terms energy: -52.592629
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -16.679
flat angles C4'-P-C4' energy: -10.046
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -1.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -81.391861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.391861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.391861 (E_RNA)
where:
Base-Base interactions energy: -28.933
where: short stacking energy: -19.769
Base-Backbone interact. energy: 1.666
local terms energy: -54.124847
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -11.215
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: -6.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -235.185695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.185695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.185695 (E_RNA)
where:
Base-Base interactions energy: -149.615
where: short stacking energy: -73.499
Base-Backbone interact. energy: -0.042
local terms energy: -85.529006
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -19.130
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -21.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -232.985478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.985478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.985478 (E_RNA)
where:
Base-Base interactions energy: -157.051
where: short stacking energy: -63.981
Base-Backbone interact. energy: -0.301
local terms energy: -75.633999
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -15.624
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: 3
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -235.665461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.665461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.665461 (E_RNA)
where:
Base-Base interactions energy: -159.759
where: short stacking energy: -69.110
Base-Backbone interact. energy: 1.417
local terms energy: -77.323659
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -17.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -190.993602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.993602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.993602 (E_RNA)
where:
Base-Base interactions energy: -121.360
where: short stacking energy: -63.851
Base-Backbone interact. energy: -0.104
local terms energy: -69.529224
where:
bonds (distance) C4'-P energy: -9.974
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -6.295
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: 5, replica: 10
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -180.142338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.142338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.142338 (E_RNA)
where:
Base-Base interactions energy: -109.114
where: short stacking energy: -52.241
Base-Backbone interact. energy: -0.364
local terms energy: -70.664164
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: -11.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -185.604486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.604486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.604486 (E_RNA)
where:
Base-Base interactions energy: -115.070
where: short stacking energy: -61.321
Base-Backbone interact. energy: -0.050
local terms energy: -70.484091
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -17.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -101.571875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.571875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.571875 (E_RNA)
where:
Base-Base interactions energy: -39.238
where: short stacking energy: -39.238
Base-Backbone interact. energy: -0.043
local terms energy: -62.290818
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -8.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -148.563564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.563564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.563564 (E_RNA)
where:
Base-Base interactions energy: -93.297
where: short stacking energy: -41.405
Base-Backbone interact. energy: -0.236
local terms energy: -55.030667
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -11.077
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -5.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -89.444633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.444633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.444633 (E_RNA)
where:
Base-Base interactions energy: -29.815
where: short stacking energy: -29.815
Base-Backbone interact. energy: -0.038
local terms energy: -59.591996
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -18.739
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -8.713
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: 10, replica: 7
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -86.062594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.062594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.062594 (E_RNA)
where:
Base-Base interactions energy: -38.067
where: short stacking energy: -24.387
Base-Backbone interact. energy: -0.687
local terms energy: -47.308494
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: 2.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -225.835922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.835922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.835922 (E_RNA)
where:
Base-Base interactions energy: -149.643
where: short stacking energy: -72.250
Base-Backbone interact. energy: 1.146
local terms energy: -77.339211
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -17.804
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -17.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -234.749188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.749188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.749188 (E_RNA)
where:
Base-Base interactions energy: -155.169
where: short stacking energy: -67.558
Base-Backbone interact. energy: -1.538
local terms energy: -78.042360
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -18.681
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -13.994
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: 3
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -228.980317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.980317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.980317 (E_RNA)
where:
Base-Base interactions energy: -160.785
where: short stacking energy: -66.069
Base-Backbone interact. energy: -0.335
local terms energy: -67.859419
where:
bonds (distance) C4'-P energy: -9.132
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -15.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -199.470535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.470535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.470535 (E_RNA)
where:
Base-Base interactions energy: -125.616
where: short stacking energy: -65.336
Base-Backbone interact. energy: -0.437
local terms energy: -73.418197
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -11.565
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -16.872
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: 10
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -192.196373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.196373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.196373 (E_RNA)
where:
Base-Base interactions energy: -120.918
where: short stacking energy: -60.177
Base-Backbone interact. energy: -0.042
local terms energy: -71.236157
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -18.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -129.264358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.264358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.264358 (E_RNA)
where:
Base-Base interactions energy: -76.731
where: short stacking energy: -31.471
Base-Backbone interact. energy: 0.027
local terms energy: -52.560365
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -5.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -179.049592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.049592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.049592 (E_RNA)
where:
Base-Base interactions energy: -107.877
where: short stacking energy: -54.761
Base-Backbone interact. energy: -0.001
local terms energy: -71.170905
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -10.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -93.553826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.553826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.553826 (E_RNA)
where:
Base-Base interactions energy: -39.039
where: short stacking energy: -28.251
Base-Backbone interact. energy: -0.317
local terms energy: -54.197252
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -9.071
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -6.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -150.413902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.413902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.413902 (E_RNA)
where:
Base-Base interactions energy: -93.219
where: short stacking energy: -49.134
Base-Backbone interact. energy: -0.941
local terms energy: -56.253867
where:
bonds (distance) C4'-P energy: -9.840
bonds (distance) P-C4' energy: -17.841
flat angles C4'-P-C4' energy: -8.091
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -10.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -89.742569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.742569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.742569 (E_RNA)
where:
Base-Base interactions energy: -48.185
where: short stacking energy: -23.545
Base-Backbone interact. energy: -0.053
local terms energy: -41.505262
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -5.664
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: 5
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -242.365781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.365781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.365781 (E_RNA)
where:
Base-Base interactions energy: -162.205
where: short stacking energy: -63.299
Base-Backbone interact. energy: -0.409
local terms energy: -79.751412
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -17.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -243.154206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.154206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.154206 (E_RNA)
where:
Base-Base interactions energy: -159.210
where: short stacking energy: -78.850
Base-Backbone interact. energy: -0.782
local terms energy: -83.162566
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -19.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -216.760077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.760077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.760077 (E_RNA)
where:
Base-Base interactions energy: -135.874
where: short stacking energy: -76.607
Base-Backbone interact. energy: -0.001
local terms energy: -80.885504
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: -23.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -221.149857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.149857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.149857 (E_RNA)
where:
Base-Base interactions energy: -150.704
where: short stacking energy: -52.706
Base-Backbone interact. energy: -0.159
local terms energy: -70.287153
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -5.596
tors. eta vs tors. theta energy: -12.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -183.345854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.345854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.345854 (E_RNA)
where:
Base-Base interactions energy: -124.398
where: short stacking energy: -53.399
Base-Backbone interact. energy: -0.161
local terms energy: -58.786796
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -11.241
flat angles P-C4'-P energy: -8.518
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: 6, replica: 2
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -104.718940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.718940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.718940 (E_RNA)
where:
Base-Base interactions energy: -52.584
where: short stacking energy: -35.860
Base-Backbone interact. energy: -0.098
local terms energy: -52.036471
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -8.928
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -7.914
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: 8
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -169.862460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.862460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.862460 (E_RNA)
where:
Base-Base interactions energy: -106.460
where: short stacking energy: -59.602
Base-Backbone interact. energy: -0.015
local terms energy: -63.387424
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -9.112
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -5.691
tors. eta vs tors. theta energy: -16.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -93.103152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.103152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.103152 (E_RNA)
where:
Base-Base interactions energy: -39.421
where: short stacking energy: -31.756
Base-Backbone interact. energy: 0.003
local terms energy: -53.685050
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: 2.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -157.569551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.569551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.569551 (E_RNA)
where:
Base-Base interactions energy: -91.815
where: short stacking energy: -49.343
Base-Backbone interact. energy: -0.009
local terms energy: -65.745901
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -7.802
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: 10, replica: 7
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -85.505949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.505949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.505949 (E_RNA)
where:
Base-Base interactions energy: -29.074
where: short stacking energy: -27.698
Base-Backbone interact. energy: -0.469
local terms energy: -55.962772
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -11.353
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -5.957
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: 5
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -243.870822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.870822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.870822 (E_RNA)
where:
Base-Base interactions energy: -169.928
where: short stacking energy: -68.390
Base-Backbone interact. energy: -0.213
local terms energy: -73.729556
where:
bonds (distance) C4'-P energy: -17.449
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -12.863
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: 4
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -223.240670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.240670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.240670 (E_RNA)
where:
Base-Base interactions energy: -133.536
where: short stacking energy: -67.467
Base-Backbone interact. energy: -1.020
local terms energy: -88.684678
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -18.896
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -13.903
tors. eta vs tors. theta energy: -23.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -232.171654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.171654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.171654 (E_RNA)
where:
Base-Base interactions energy: -149.790
where: short stacking energy: -74.973
Base-Backbone interact. energy: 0.545
local terms energy: -82.927121
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -13.329
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: 4, replica: 10
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -201.450374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.450374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.450374 (E_RNA)
where:
Base-Base interactions energy: -127.126
where: short stacking energy: -56.215
Base-Backbone interact. energy: -0.093
local terms energy: -74.230831
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -19.657
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -16.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -210.241156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.241156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.241156 (E_RNA)
where:
Base-Base interactions energy: -144.885
where: short stacking energy: -54.232
Base-Backbone interact. energy: -1.734
local terms energy: -63.622304
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -9.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -169.070505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.070505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.070505 (E_RNA)
where:
Base-Base interactions energy: -97.308
where: short stacking energy: -48.440
Base-Backbone interact. energy: -0.124
local terms energy: -71.638738
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -11.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -108.424938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.424938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.424938 (E_RNA)
where:
Base-Base interactions energy: -42.463
where: short stacking energy: -34.132
Base-Backbone interact. energy: -0.462
local terms energy: -65.500157
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -14.587
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -9.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -156.525583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.525583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.525583 (E_RNA)
where:
Base-Base interactions energy: -90.189
where: short stacking energy: -49.052
Base-Backbone interact. energy: -0.024
local terms energy: -66.312161
where:
bonds (distance) C4'-P energy: -18.082
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -11.764
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: 9
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -86.404051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.404051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.404051 (E_RNA)
where:
Base-Base interactions energy: -41.702
where: short stacking energy: -26.526
Base-Backbone interact. energy: -0.168
local terms energy: -44.534044
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -12.267
flat angles C4'-P-C4' energy: -9.014
flat angles P-C4'-P energy: -6.593
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: 10, replica: 7
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -84.750763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.750763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.750763 (E_RNA)
where:
Base-Base interactions energy: -24.254
where: short stacking energy: -24.254
Base-Backbone interact. energy: -0.015
local terms energy: -60.482400
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -16.570
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -1.450
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: 5
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -246.362464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.362464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.362464 (E_RNA)
where:
Base-Base interactions energy: -169.584
where: short stacking energy: -62.074
Base-Backbone interact. energy: -0.751
local terms energy: -76.027724
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -15.902
tors. eta vs tors. theta energy: -12.986
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: 2, replica: 4
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -223.955251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.955251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.955251 (E_RNA)
where:
Base-Base interactions energy: -142.144
where: short stacking energy: -75.324
Base-Backbone interact. energy: -0.011
local terms energy: -81.800463
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -22.589
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: 3, replica: 1
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -226.730296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.730296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.730296 (E_RNA)
where:
Base-Base interactions energy: -150.580
where: short stacking energy: -70.331
Base-Backbone interact. energy: -0.642
local terms energy: -75.507955
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -19.997
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: 4, replica: 10
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -201.977196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.977196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.977196 (E_RNA)
where:
Base-Base interactions energy: -127.757
where: short stacking energy: -57.429
Base-Backbone interact. energy: -0.012
local terms energy: -74.208458
where:
bonds (distance) C4'-P energy: -16.683
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -19.379
flat angles P-C4'-P energy: -8.674
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: 5, replica: 8
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -185.804083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.804083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.804083 (E_RNA)
where:
Base-Base interactions energy: -119.435
where: short stacking energy: -53.874
Base-Backbone interact. energy: -0.766
local terms energy: -65.603480
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -12.586
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: 3
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -202.405702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.405702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.405702 (E_RNA)
where:
Base-Base interactions energy: -140.321
where: short stacking energy: -57.940
Base-Backbone interact. energy: -0.739
local terms energy: -61.345755
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -11.359
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -12.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -128.428507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.428507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.428507 (E_RNA)
where:
Base-Base interactions energy: -73.089
where: short stacking energy: -30.563
Base-Backbone interact. energy: 1.539
local terms energy: -56.877941
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -5.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -102.239846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.239846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.239846 (E_RNA)
where:
Base-Base interactions energy: -40.622
where: short stacking energy: -35.777
Base-Backbone interact. energy: 0.667
local terms energy: -62.285321
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -6.740
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: 7
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -88.043237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.043237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.043237 (E_RNA)
where:
Base-Base interactions energy: -35.038
where: short stacking energy: -29.855
Base-Backbone interact. energy: -0.226
local terms energy: -52.779568
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -5.747
tors. eta vs tors. theta energy: -3.249
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: 9
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -79.594717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.594717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.594717 (E_RNA)
where:
Base-Base interactions energy: -34.238
where: short stacking energy: -14.750
Base-Backbone interact. energy: -0.125
local terms energy: -45.232092
where:
bonds (distance) C4'-P energy: -9.013
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: 0.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -240.448759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.448759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.448759 (E_RNA)
where:
Base-Base interactions energy: -160.152
where: short stacking energy: -62.087
Base-Backbone interact. energy: -0.367
local terms energy: -79.930127
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -19.265
flat angles P-C4'-P energy: -9.858
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: 2, replica: 1
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -232.806219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.806219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.806219 (E_RNA)
where:
Base-Base interactions energy: -152.613
where: short stacking energy: -79.677
Base-Backbone interact. energy: -0.078
local terms energy: -80.115925
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -13.633
tors. eta vs tors. theta energy: -20.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -217.610501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.610501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.610501 (E_RNA)
where:
Base-Base interactions energy: -147.059
where: short stacking energy: -64.835
Base-Backbone interact. energy: -0.458
local terms energy: -70.093428
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -15.658
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -17.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -174.759172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.759172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.759172 (E_RNA)
where:
Base-Base interactions energy: -100.156
where: short stacking energy: -62.375
Base-Backbone interact. energy: -0.039
local terms energy: -74.564261
where:
bonds (distance) C4'-P energy: -18.740
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -8.947
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: 5, replica: 10
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -181.850434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.850434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.850434 (E_RNA)
where:
Base-Base interactions energy: -107.425
where: short stacking energy: -62.896
Base-Backbone interact. energy: -0.373
local terms energy: -74.052713
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -11.659
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: 6, replica: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -212.143812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.143812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.143812 (E_RNA)
where:
Base-Base interactions energy: -149.488
where: short stacking energy: -64.256
Base-Backbone interact. energy: -0.450
local terms energy: -62.205701
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -9.447
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -12.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -104.826689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.826689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.826689 (E_RNA)
where:
Base-Base interactions energy: -42.143
where: short stacking energy: -31.033
Base-Backbone interact. energy: -0.291
local terms energy: -62.393280
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -2.841
tors. eta vs tors. theta energy: -9.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -96.312722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.312722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.312722 (E_RNA)
where:
Base-Base interactions energy: -36.525
where: short stacking energy: -32.815
Base-Backbone interact. energy: -0.370
local terms energy: -59.418304
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -5.803
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: 9, replica: 7
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -101.825209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.825209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.825209 (E_RNA)
where:
Base-Base interactions energy: -54.456
where: short stacking energy: -18.590
Base-Backbone interact. energy: -1.044
local terms energy: -46.325543
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -7.112
flat angles P-C4'-P energy: -4.810
tors. eta vs tors. theta energy: -1.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -87.717649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.717649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.717649 (E_RNA)
where:
Base-Base interactions energy: -43.649
where: short stacking energy: -22.812
Base-Backbone interact. energy: 2.310
local terms energy: -46.379162
where:
bonds (distance) C4'-P energy: -8.916
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -10.178
flat angles P-C4'-P energy: -9.425
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: 1, replica: 1
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -239.003280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.003280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.003280 (E_RNA)
where:
Base-Base interactions energy: -159.684
where: short stacking energy: -77.405
Base-Backbone interact. energy: -1.043
local terms energy: -78.275764
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -20.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -238.880128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.880128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.880128 (E_RNA)
where:
Base-Base interactions energy: -156.226
where: short stacking energy: -64.212
Base-Backbone interact. energy: -0.489
local terms energy: -82.164919
where:
bonds (distance) C4'-P energy: -18.667
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -14.342
tors. eta vs tors. theta energy: -13.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -217.748349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.748349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.748349 (E_RNA)
where:
Base-Base interactions energy: -132.566
where: short stacking energy: -72.555
Base-Backbone interact. energy: -0.726
local terms energy: -84.455722
where:
bonds (distance) C4'-P energy: -16.564
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -23.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -179.819794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.819794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.819794 (E_RNA)
where:
Base-Base interactions energy: -104.334
where: short stacking energy: -55.303
Base-Backbone interact. energy: -0.667
local terms energy: -74.818623
where:
bonds (distance) C4'-P energy: -17.527
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -18.261
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -10.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -219.225513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.225513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.225513 (E_RNA)
where:
Base-Base interactions energy: -147.068
where: short stacking energy: -60.049
Base-Backbone interact. energy: -1.086
local terms energy: -71.071851
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -13.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -170.949550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.949550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.949550 (E_RNA)
where:
Base-Base interactions energy: -103.982
where: short stacking energy: -49.214
Base-Backbone interact. energy: -0.113
local terms energy: -66.854566
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -18.173
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -8.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -102.980720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.980720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.980720 (E_RNA)
where:
Base-Base interactions energy: -39.740
where: short stacking energy: -39.740
Base-Backbone interact. energy: -0.026
local terms energy: -63.214280
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -9.526
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: 8, replica: 6
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -99.469461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.469461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.469461 (E_RNA)
where:
Base-Base interactions energy: -47.570
where: short stacking energy: -47.570
Base-Backbone interact. energy: -0.096
local terms energy: -51.803256
where:
bonds (distance) C4'-P energy: -10.358
bonds (distance) P-C4' energy: -8.164
flat angles C4'-P-C4' energy: -10.113
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -14.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -93.785918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.785918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.785918 (E_RNA)
where:
Base-Base interactions energy: -49.172
where: short stacking energy: -33.570
Base-Backbone interact. energy: -0.841
local terms energy: -43.772961
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -10.831
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: 2.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -98.424551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.424551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.424551 (E_RNA)
where:
Base-Base interactions energy: -48.842
where: short stacking energy: -32.866
Base-Backbone interact. energy: -0.080
local terms energy: -49.501795
where:
bonds (distance) C4'-P energy: -10.146
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -11.829
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: 1, replica: 1
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -236.987365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.987365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.987365 (E_RNA)
where:
Base-Base interactions energy: -152.916
where: short stacking energy: -71.328
Base-Backbone interact. energy: -0.387
local terms energy: -83.683981
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -17.722
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -21.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -232.149438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.149438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.149438 (E_RNA)
where:
Base-Base interactions energy: -155.238
where: short stacking energy: -68.352
Base-Backbone interact. energy: -2.702
local terms energy: -74.209259
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -16.627
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -15.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -214.248647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.248647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.248647 (E_RNA)
where:
Base-Base interactions energy: -137.720
where: short stacking energy: -65.003
Base-Backbone interact. energy: -1.233
local terms energy: -75.296457
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -17.848
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -16.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -229.608305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.608305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.608305 (E_RNA)
where:
Base-Base interactions energy: -159.377
where: short stacking energy: -67.018
Base-Backbone interact. energy: -0.366
local terms energy: -69.866015
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -14.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -178.824832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.824832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.824832 (E_RNA)
where:
Base-Base interactions energy: -106.263
where: short stacking energy: -58.833
Base-Backbone interact. energy: -0.303
local terms energy: -72.258739
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -13.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -174.942811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.942811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.942811 (E_RNA)
where:
Base-Base interactions energy: -106.468
where: short stacking energy: -47.043
Base-Backbone interact. energy: -0.049
local terms energy: -68.425899
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -14.257
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: 7, replica: 2
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -100.082032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.082032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.082032 (E_RNA)
where:
Base-Base interactions energy: -37.652
where: short stacking energy: -25.179
Base-Backbone interact. energy: -0.238
local terms energy: -62.191702
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -18.766
flat angles P-C4'-P energy: -6.534
tors. eta vs tors. theta energy: -4.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -88.281558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.281558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.281558 (E_RNA)
where:
Base-Base interactions energy: -36.745
where: short stacking energy: -36.160
Base-Backbone interact. energy: -0.136
local terms energy: -51.400377
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -10.528
flat angles C4'-P-C4' energy: -11.678
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -2.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -92.925572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.925572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.925572 (E_RNA)
where:
Base-Base interactions energy: -41.175
where: short stacking energy: -30.454
Base-Backbone interact. energy: 0.360
local terms energy: -52.110628
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: -3.187
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: 329
Temperature: 1.350000
Total energy: -88.589516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.589516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.589516 (E_RNA)
where:
Base-Base interactions energy: -35.964
where: short stacking energy: -26.657
Base-Backbone interact. energy: -0.088
local terms energy: -52.536958
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -3.058
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: 1, replica: 5
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -243.541376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.541376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.541376 (E_RNA)
where:
Base-Base interactions energy: -165.450
where: short stacking energy: -68.947
Base-Backbone interact. energy: -0.949
local terms energy: -77.143028
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -14.252
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: 2, replica: 1
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -234.715216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.715216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.715216 (E_RNA)
where:
Base-Base interactions energy: -156.761
where: short stacking energy: -79.435
Base-Backbone interact. energy: -0.058
local terms energy: -77.895833
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -23.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -249.878122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.878122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.878122 (E_RNA)
where:
Base-Base interactions energy: -181.527
where: short stacking energy: -63.926
Base-Backbone interact. energy: -1.327
local terms energy: -67.024261
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -8.000
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: 4
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -225.849427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.849427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.849427 (E_RNA)
where:
Base-Base interactions energy: -136.049
where: short stacking energy: -75.798
Base-Backbone interact. energy: -0.461
local terms energy: -89.339253
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -24.293
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: 10
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -188.679967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.679967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.679967 (E_RNA)
where:
Base-Base interactions energy: -115.826
where: short stacking energy: -49.317
Base-Backbone interact. energy: -0.893
local terms energy: -71.960287
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -12.885
tors. eta vs tors. theta energy: -10.224
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: 6, replica: 8
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -172.721832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.721832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.721832 (E_RNA)
where:
Base-Base interactions energy: -100.476
where: short stacking energy: -52.105
Base-Backbone interact. energy: -0.539
local terms energy: -71.706821
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -14.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -114.008917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.008917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.008917 (E_RNA)
where:
Base-Base interactions energy: -49.114
where: short stacking energy: -46.636
Base-Backbone interact. energy: -0.035
local terms energy: -64.860266
where:
bonds (distance) C4'-P energy: -8.545
bonds (distance) P-C4' energy: -19.169
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -9.920
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: 2
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -88.635919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.635919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.635919 (E_RNA)
where:
Base-Base interactions energy: -37.033
where: short stacking energy: -18.140
Base-Backbone interact. energy: -0.974
local terms energy: -50.628327
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -8.073
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: 2.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -86.570211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.570211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.570211 (E_RNA)
where:
Base-Base interactions energy: -33.161
where: short stacking energy: -31.864
Base-Backbone interact. energy: 0.832
local terms energy: -54.241230
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -11.393
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -3.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -81.482047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.482047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.482047 (E_RNA)
where:
Base-Base interactions energy: -24.124
where: short stacking energy: -21.206
Base-Backbone interact. energy: -0.129
local terms energy: -57.228744
where:
bonds (distance) C4'-P energy: -10.027
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -0.209
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: 5
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -240.016618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.016618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.016618 (E_RNA)
where:
Base-Base interactions energy: -167.529
where: short stacking energy: -65.807
Base-Backbone interact. energy: -0.075
local terms energy: -72.412501
where:
bonds (distance) C4'-P energy: -16.005
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -16.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -237.495315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.495315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.495315 (E_RNA)
where:
Base-Base interactions energy: -174.294
where: short stacking energy: -69.675
Base-Backbone interact. energy: -1.363
local terms energy: -61.838306
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -10.933
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -13.477
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: 1
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -222.608784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.608784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.608784 (E_RNA)
where:
Base-Base interactions energy: -144.833
where: short stacking energy: -66.619
Base-Backbone interact. energy: -0.002
local terms energy: -77.774062
where:
bonds (distance) C4'-P energy: -10.507
bonds (distance) P-C4' energy: -17.609
flat angles C4'-P-C4' energy: -19.400
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -17.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -210.866286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.866286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.866286 (E_RNA)
where:
Base-Base interactions energy: -125.227
where: short stacking energy: -74.658
Base-Backbone interact. energy: -0.793
local terms energy: -84.846215
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -25.221
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: 10
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -191.093823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.093823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.093823 (E_RNA)
where:
Base-Base interactions energy: -125.709
where: short stacking energy: -61.238
Base-Backbone interact. energy: -0.133
local terms energy: -65.251686
where:
bonds (distance) C4'-P energy: -10.212
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -17.899
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: -15.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -169.841524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.841524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.841524 (E_RNA)
where:
Base-Base interactions energy: -97.294
where: short stacking energy: -57.356
Base-Backbone interact. energy: -0.041
local terms energy: -72.506500
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -13.725
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: 9
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -94.262633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.262633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.262633 (E_RNA)
where:
Base-Base interactions energy: -37.583
where: short stacking energy: -35.243
Base-Backbone interact. energy: -0.029
local terms energy: -56.650200
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -5.473
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: 8, replica: 7
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -92.788236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.788236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.788236 (E_RNA)
where:
Base-Base interactions energy: -47.862
where: short stacking energy: -18.675
Base-Backbone interact. energy: -0.543
local terms energy: -44.383252
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -12.851
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: 4.271
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: 2
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -94.724424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.724424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.724424 (E_RNA)
where:
Base-Base interactions energy: -39.098
where: short stacking energy: -20.712
Base-Backbone interact. energy: -0.136
local terms energy: -55.490976
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -1.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -88.560763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.560763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.560763 (E_RNA)
where:
Base-Base interactions energy: -27.428
where: short stacking energy: -20.198
Base-Backbone interact. energy: 0.176
local terms energy: -61.308341
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -10.720
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: 1, replica: 3
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -250.332317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.332317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.332317 (E_RNA)
where:
Base-Base interactions energy: -182.252
where: short stacking energy: -63.362
Base-Backbone interact. energy: -0.464
local terms energy: -67.616421
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -12.808
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: 2, replica: 5
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -240.776930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.776930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.776930 (E_RNA)
where:
Base-Base interactions energy: -162.305
where: short stacking energy: -75.695
Base-Backbone interact. energy: 1.091
local terms energy: -79.562414
where:
bonds (distance) C4'-P energy: -14.250
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -18.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -206.941799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.941799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.941799 (E_RNA)
where:
Base-Base interactions energy: -125.587
where: short stacking energy: -67.210
Base-Backbone interact. energy: -0.035
local terms energy: -81.319209
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -14.628
tors. eta vs tors. theta energy: -22.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -215.802298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.802298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.802298 (E_RNA)
where:
Base-Base interactions energy: -142.663
where: short stacking energy: -73.717
Base-Backbone interact. energy: -0.003
local terms energy: -73.135628
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -11.738
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -12.161
tors. eta vs tors. theta energy: -20.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -197.230113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.230113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.230113 (E_RNA)
where:
Base-Base interactions energy: -117.556
where: short stacking energy: -58.600
Base-Backbone interact. energy: 0.160
local terms energy: -79.833898
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -19.394
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -18.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -154.435473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.435473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.435473 (E_RNA)
where:
Base-Base interactions energy: -86.656
where: short stacking energy: -50.099
Base-Backbone interact. energy: -0.086
local terms energy: -67.693406
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -11.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -109.382145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.382145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.382145 (E_RNA)
where:
Base-Base interactions energy: -49.499
where: short stacking energy: -26.161
Base-Backbone interact. energy: 0.807
local terms energy: -60.690448
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -9.655
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: 8, replica: 9
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -104.458452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.458452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.458452 (E_RNA)
where:
Base-Base interactions energy: -51.601
where: short stacking energy: -37.174
Base-Backbone interact. energy: -0.357
local terms energy: -52.500524
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -10.590
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -5.902
tors. eta vs tors. theta energy: -5.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -90.272688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.272688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.272688 (E_RNA)
where:
Base-Base interactions energy: -47.378
where: short stacking energy: -31.224
Base-Backbone interact. energy: -0.258
local terms energy: -42.636411
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -8.527
flat angles P-C4'-P energy: -6.379
tors. eta vs tors. theta energy: -2.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -81.066606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.066606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.066606 (E_RNA)
where:
Base-Base interactions energy: -23.663
where: short stacking energy: -18.570
Base-Backbone interact. energy: 2.259
local terms energy: -59.662458
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: 0.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -257.746990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.746990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.746990 (E_RNA)
where:
Base-Base interactions energy: -186.000
where: short stacking energy: -71.990
Base-Backbone interact. energy: -0.472
local terms energy: -71.275476
where:
bonds (distance) C4'-P energy: -16.948
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -15.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -239.070080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.070080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.070080 (E_RNA)
where:
Base-Base interactions energy: -160.929
where: short stacking energy: -65.283
Base-Backbone interact. energy: -0.126
local terms energy: -78.015026
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -18.135
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -15.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -188.656731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.656731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.656731 (E_RNA)
where:
Base-Base interactions energy: -114.962
where: short stacking energy: -51.480
Base-Backbone interact. energy: -1.978
local terms energy: -71.716632
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -18.759
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -13.318
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: 10
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -191.772560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.772560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.772560 (E_RNA)
where:
Base-Base interactions energy: -113.093
where: short stacking energy: -59.629
Base-Backbone interact. energy: -0.016
local terms energy: -78.662996
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -19.623
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -19.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -179.366161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.366161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.366161 (E_RNA)
where:
Base-Base interactions energy: -115.738
where: short stacking energy: -50.098
Base-Backbone interact. energy: -1.259
local terms energy: -62.368648
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -11.294
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -11.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -149.155683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.155683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.155683 (E_RNA)
where:
Base-Base interactions energy: -91.704
where: short stacking energy: -46.911
Base-Backbone interact. energy: 0.650
local terms energy: -58.101579
where:
bonds (distance) C4'-P energy: -10.168
bonds (distance) P-C4' energy: -12.309
flat angles C4'-P-C4' energy: -17.999
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -6.610
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: 7
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -111.407515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.407515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.407515 (E_RNA)
where:
Base-Base interactions energy: -50.091
where: short stacking energy: -36.294
Base-Backbone interact. energy: -0.222
local terms energy: -61.094657
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -2.350
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: 8, replica: 6
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -87.540905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.540905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.540905 (E_RNA)
where:
Base-Base interactions energy: -44.133
where: short stacking energy: -26.564
Base-Backbone interact. energy: 0.197
local terms energy: -43.604327
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -10.771
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -4.235
tors. eta vs tors. theta energy: 0.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -95.983765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.983765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.983765 (E_RNA)
where:
Base-Base interactions energy: -47.321
where: short stacking energy: -31.796
Base-Backbone interact. energy: -0.254
local terms energy: -48.408089
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -17.159
flat angles C4'-P-C4' energy: -8.116
flat angles P-C4'-P energy: -4.035
tors. eta vs tors. theta energy: -3.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -77.114914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.114914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.114914 (E_RNA)
where:
Base-Base interactions energy: -21.259
where: short stacking energy: -21.259
Base-Backbone interact. energy: -0.096
local terms energy: -55.759613
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -5.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -253.347718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.347718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.347718 (E_RNA)
where:
Base-Base interactions energy: -176.530
where: short stacking energy: -66.981
Base-Backbone interact. energy: -0.920
local terms energy: -75.897191
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -17.511
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -13.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -239.752655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.752655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.752655 (E_RNA)
where:
Base-Base interactions energy: -166.492
where: short stacking energy: -70.667
Base-Backbone interact. energy: -0.398
local terms energy: -72.861973
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -19.701
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -15.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -210.044929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.044929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.044929 (E_RNA)
where:
Base-Base interactions energy: -136.443
where: short stacking energy: -80.117
Base-Backbone interact. energy: -0.000
local terms energy: -73.601690
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -5.994
tors. eta vs tors. theta energy: -21.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -197.072655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.072655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.072655 (E_RNA)
where:
Base-Base interactions energy: -121.773
where: short stacking energy: -71.219
Base-Backbone interact. energy: -0.244
local terms energy: -75.054718
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -24.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -168.246214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.246214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.246214 (E_RNA)
where:
Base-Base interactions energy: -94.071
where: short stacking energy: -56.208
Base-Backbone interact. energy: -0.094
local terms energy: -74.080681
where:
bonds (distance) C4'-P energy: -18.993
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -16.645
flat angles P-C4'-P energy: -10.915
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: 6, replica: 1
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -151.844848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.844848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.844848 (E_RNA)
where:
Base-Base interactions energy: -94.016
where: short stacking energy: -49.607
Base-Backbone interact. energy: -0.058
local terms energy: -57.771152
where:
bonds (distance) C4'-P energy: -9.473
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -10.892
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -9.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -94.444672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.444672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.444672 (E_RNA)
where:
Base-Base interactions energy: -41.407
where: short stacking energy: -40.421
Base-Backbone interact. energy: -0.137
local terms energy: -52.900543
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -11.082
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -4.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -94.864376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.864376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.864376 (E_RNA)
where:
Base-Base interactions energy: -42.832
where: short stacking energy: -43.932
Base-Backbone interact. energy: -0.127
local terms energy: -51.904839
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -11.316
flat angles C4'-P-C4' energy: -8.961
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -7.691
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: 2
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -96.989736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.989736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.989736 (E_RNA)
where:
Base-Base interactions energy: -40.570
where: short stacking energy: -37.715
Base-Backbone interact. energy: -0.210
local terms energy: -56.209031
where:
bonds (distance) C4'-P energy: -8.721
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -9.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -96.635643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.635643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.635643 (E_RNA)
where:
Base-Base interactions energy: -44.918
where: short stacking energy: -26.276
Base-Backbone interact. energy: -0.374
local terms energy: -51.344471
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -2.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -243.447111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.447111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.447111 (E_RNA)
where:
Base-Base interactions energy: -172.201
where: short stacking energy: -65.376
Base-Backbone interact. energy: -0.101
local terms energy: -71.145256
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -8.703
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: 10
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -212.004884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.004884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.004884 (E_RNA)
where:
Base-Base interactions energy: -139.622
where: short stacking energy: -65.474
Base-Backbone interact. energy: 0.534
local terms energy: -72.917310
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -19.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -219.694696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.694696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.694696 (E_RNA)
where:
Base-Base interactions energy: -152.601
where: short stacking energy: -64.853
Base-Backbone interact. energy: -0.185
local terms energy: -66.908827
where:
bonds (distance) C4'-P energy: -16.829
bonds (distance) P-C4' energy: -14.073
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -15.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -205.075990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.075990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.075990 (E_RNA)
where:
Base-Base interactions energy: -121.839
where: short stacking energy: -70.486
Base-Backbone interact. energy: -0.072
local terms energy: -83.165221
where:
bonds (distance) C4'-P energy: -17.632
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -19.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -198.671684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.671684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.671684 (E_RNA)
where:
Base-Base interactions energy: -128.082
where: short stacking energy: -65.788
Base-Backbone interact. energy: -0.860
local terms energy: -69.729502
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -16.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -155.058256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.058256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.058256 (E_RNA)
where:
Base-Base interactions energy: -90.551
where: short stacking energy: -58.090
Base-Backbone interact. energy: -0.097
local terms energy: -64.409513
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -5.107
tors. eta vs tors. theta energy: -14.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -109.543983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.543983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.543983 (E_RNA)
where:
Base-Base interactions energy: -60.236
where: short stacking energy: -33.576
Base-Backbone interact. energy: -0.242
local terms energy: -49.065828
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -4.878
tors. eta vs tors. theta energy: -5.515
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: 2
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -102.760450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.760450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.760450 (E_RNA)
where:
Base-Base interactions energy: -37.575
where: short stacking energy: -32.932
Base-Backbone interact. energy: -0.242
local terms energy: -64.943814
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -12.738
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: 9, replica: 7
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -96.948805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.948805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.948805 (E_RNA)
where:
Base-Base interactions energy: -38.335
where: short stacking energy: -29.850
Base-Backbone interact. energy: -0.351
local terms energy: -58.262758
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -3.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -95.714665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.714665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.714665 (E_RNA)
where:
Base-Base interactions energy: -33.050
where: short stacking energy: -19.740
Base-Backbone interact. energy: -0.141
local terms energy: -62.523645
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -2.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -248.140367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.140367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.140367 (E_RNA)
where:
Base-Base interactions energy: -173.709
where: short stacking energy: -62.262
Base-Backbone interact. energy: -1.096
local terms energy: -73.334788
where:
bonds (distance) C4'-P energy: -15.404
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -15.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -216.288996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.288996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.288996 (E_RNA)
where:
Base-Base interactions energy: -143.380
where: short stacking energy: -69.672
Base-Backbone interact. energy: -0.010
local terms energy: -72.899390
where:
bonds (distance) C4'-P energy: -17.983
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -14.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -228.319426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.319426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.319426 (E_RNA)
where:
Base-Base interactions energy: -151.368
where: short stacking energy: -69.540
Base-Backbone interact. energy: -0.049
local terms energy: -76.901827
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -18.672
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: 8
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -190.380429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.380429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.380429 (E_RNA)
where:
Base-Base interactions energy: -116.795
where: short stacking energy: -60.926
Base-Backbone interact. energy: -0.030
local terms energy: -73.555073
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -11.716
flat angles C4'-P-C4' energy: -18.260
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -17.833
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: 1
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -183.960803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.960803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.960803 (E_RNA)
where:
Base-Base interactions energy: -117.975
where: short stacking energy: -65.392
Base-Backbone interact. energy: -0.322
local terms energy: -65.663360
where:
bonds (distance) C4'-P energy: -9.174
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -17.919
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: 4
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -174.668171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.668171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.668171 (E_RNA)
where:
Base-Base interactions energy: -110.352
where: short stacking energy: -55.034
Base-Backbone interact. energy: 0.125
local terms energy: -64.440453
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -5.143
tors. eta vs tors. theta energy: -14.632
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: 2
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -100.326019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.326019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.326019 (E_RNA)
where:
Base-Base interactions energy: -49.085
where: short stacking energy: -49.085
Base-Backbone interact. energy: 1.473
local terms energy: -52.714852
where:
bonds (distance) C4'-P energy: -11.054
bonds (distance) P-C4' energy: -16.056
flat angles C4'-P-C4' energy: -4.335
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -6.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -96.984441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.984441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.984441 (E_RNA)
where:
Base-Base interactions energy: -38.809
where: short stacking energy: -28.458
Base-Backbone interact. energy: -0.412
local terms energy: -57.763633
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -0.100
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: 336
Temperature: 1.300000
Total energy: -108.877249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.877249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.877249 (E_RNA)
where:
Base-Base interactions energy: -55.788
where: short stacking energy: -34.604
Base-Backbone interact. energy: -0.466
local terms energy: -52.623542
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -77.057423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.057423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.057423 (E_RNA)
where:
Base-Base interactions energy: -34.152
where: short stacking energy: -26.190
Base-Backbone interact. energy: -0.255
local terms energy: -42.650655
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -9.735
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: 4.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -254.352032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.352032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.352032 (E_RNA)
where:
Base-Base interactions energy: -178.899
where: short stacking energy: -72.146
Base-Backbone interact. energy: -1.150
local terms energy: -74.303467
where:
bonds (distance) C4'-P energy: -17.396
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -10.070
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -15.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -207.286805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.286805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.286805 (E_RNA)
where:
Base-Base interactions energy: -135.420
where: short stacking energy: -56.477
Base-Backbone interact. energy: -0.118
local terms energy: -71.748286
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -11.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -234.627052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.627052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.627052 (E_RNA)
where:
Base-Base interactions energy: -159.922
where: short stacking energy: -68.720
Base-Backbone interact. energy: -0.031
local terms energy: -74.673818
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -9.979
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: 1
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -198.144381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.144381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.144381 (E_RNA)
where:
Base-Base interactions energy: -119.189
where: short stacking energy: -53.702
Base-Backbone interact. energy: -0.235
local terms energy: -78.719870
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -18.410
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -13.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -173.328236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.328236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.328236 (E_RNA)
where:
Base-Base interactions energy: -110.989
where: short stacking energy: -51.810
Base-Backbone interact. energy: -1.096
local terms energy: -61.242656
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -10.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -188.915276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.915276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.915276 (E_RNA)
where:
Base-Base interactions energy: -117.255
where: short stacking energy: -46.063
Base-Backbone interact. energy: -0.233
local terms energy: -71.427516
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -12.997
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: 7, replica: 2
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -93.414490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.414490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.414490 (E_RNA)
where:
Base-Base interactions energy: -40.539
where: short stacking energy: -29.621
Base-Backbone interact. energy: -0.172
local terms energy: -52.703799
where:
bonds (distance) C4'-P energy: -10.891
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -0.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -89.034410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.034410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.034410 (E_RNA)
where:
Base-Base interactions energy: -35.725
where: short stacking energy: -32.730
Base-Backbone interact. energy: -0.362
local terms energy: -52.947334
where:
bonds (distance) C4'-P energy: -18.373
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -7.536
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -3.495
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: 6
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -91.019434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.019434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.019434 (E_RNA)
where:
Base-Base interactions energy: -35.912
where: short stacking energy: -27.419
Base-Backbone interact. energy: -0.084
local terms energy: -55.023927
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -19.343
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -2.384
tors. eta vs tors. theta energy: -4.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -92.518031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.518031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.518031 (E_RNA)
where:
Base-Base interactions energy: -41.176
where: short stacking energy: -29.898
Base-Backbone interact. energy: -0.358
local terms energy: -50.984629
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -10.355
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: -3.784
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: 3
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -254.060630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.060630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.060630 (E_RNA)
where:
Base-Base interactions energy: -183.957
where: short stacking energy: -69.144
Base-Backbone interact. energy: -0.665
local terms energy: -69.439299
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -16.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -211.003650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.003650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.003650 (E_RNA)
where:
Base-Base interactions energy: -130.376
where: short stacking energy: -68.099
Base-Backbone interact. energy: -0.006
local terms energy: -80.621252
where:
bonds (distance) C4'-P energy: -17.467
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -17.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -224.134030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.134030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.134030 (E_RNA)
where:
Base-Base interactions energy: -155.068
where: short stacking energy: -67.423
Base-Backbone interact. energy: -0.459
local terms energy: -68.607111
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -13.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -196.772886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.772886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.772886 (E_RNA)
where:
Base-Base interactions energy: -130.145
where: short stacking energy: -68.605
Base-Backbone interact. energy: 1.015
local terms energy: -67.642613
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -12.963
flat angles C4'-P-C4' energy: -19.513
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -12.743
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: 4
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -210.719339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.719339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.719339 (E_RNA)
where:
Base-Base interactions energy: -131.301
where: short stacking energy: -70.567
Base-Backbone interact. energy: -1.089
local terms energy: -78.329850
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -22.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -186.335363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.335363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.335363 (E_RNA)
where:
Base-Base interactions energy: -117.926
where: short stacking energy: -64.376
Base-Backbone interact. energy: -0.077
local terms energy: -68.332363
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -9.716
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -18.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -103.759028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.759028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.759028 (E_RNA)
where:
Base-Base interactions energy: -43.605
where: short stacking energy: -37.010
Base-Backbone interact. energy: -0.139
local terms energy: -60.014453
where:
bonds (distance) C4'-P energy: -6.487
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -8.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -108.235848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.235848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.235848 (E_RNA)
where:
Base-Base interactions energy: -43.623
where: short stacking energy: -39.848
Base-Backbone interact. energy: 0.499
local terms energy: -65.112304
where:
bonds (distance) C4'-P energy: -11.599
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -10.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -87.447545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.447545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.447545 (E_RNA)
where:
Base-Base interactions energy: -30.229
where: short stacking energy: -25.980
Base-Backbone interact. energy: -0.058
local terms energy: -57.160231
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -18.050
flat angles C4'-P-C4' energy: -10.229
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -1.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -77.930486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.930486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.930486 (E_RNA)
where:
Base-Base interactions energy: -26.117
where: short stacking energy: -26.117
Base-Backbone interact. energy: -0.296
local terms energy: -51.517118
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -9.218
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -2.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -247.418797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.418797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.418797 (E_RNA)
where:
Base-Base interactions energy: -169.731
where: short stacking energy: -69.211
Base-Backbone interact. energy: -0.978
local terms energy: -76.710383
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -16.158
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -15.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -235.664112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.664112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.664112 (E_RNA)
where:
Base-Base interactions energy: -157.192
where: short stacking energy: -69.560
Base-Backbone interact. energy: -0.169
local terms energy: -78.302402
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -17.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -209.882440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.882440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.882440 (E_RNA)
where:
Base-Base interactions energy: -142.237
where: short stacking energy: -56.607
Base-Backbone interact. energy: -0.751
local terms energy: -66.894301
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -10.842
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: 339
Temperature: 1.050000
Total energy: -215.956835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.956835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.956835 (E_RNA)
where:
Base-Base interactions energy: -129.504
where: short stacking energy: -68.139
Base-Backbone interact. energy: -1.114
local terms energy: -85.339058
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -19.218
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -22.121
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: 339
Temperature: 1.100000
Total energy: -191.372238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.372238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.372238 (E_RNA)
where:
Base-Base interactions energy: -123.585
where: short stacking energy: -68.473
Base-Backbone interact. energy: -0.604
local terms energy: -67.183494
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -14.316
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -8.436
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: 6, replica: 8
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -178.937508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.937508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.937508 (E_RNA)
where:
Base-Base interactions energy: -112.169
where: short stacking energy: -50.215
Base-Backbone interact. energy: -0.230
local terms energy: -66.538510
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -8.399
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: 7
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -87.823884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.823884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.823884 (E_RNA)
where:
Base-Base interactions energy: -30.469
where: short stacking energy: -26.330
Base-Backbone interact. energy: -0.181
local terms energy: -57.173863
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -2.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -102.185238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.185238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.185238 (E_RNA)
where:
Base-Base interactions energy: -39.460
where: short stacking energy: -39.460
Base-Backbone interact. energy: -0.670
local terms energy: -62.055530
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -11.177
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: 9, replica: 2
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -105.448585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.448585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.448585 (E_RNA)
where:
Base-Base interactions energy: -48.091
where: short stacking energy: -36.945
Base-Backbone interact. energy: -0.189
local terms energy: -57.168944
where:
bonds (distance) C4'-P energy: -7.413
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -5.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -87.568233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.568233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.568233 (E_RNA)
where:
Base-Base interactions energy: -31.940
where: short stacking energy: -27.312
Base-Backbone interact. energy: -0.449
local terms energy: -55.178888
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -2.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -237.565228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.565228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.565228 (E_RNA)
where:
Base-Base interactions energy: -167.230
where: short stacking energy: -71.311
Base-Backbone interact. energy: -0.121
local terms energy: -70.214072
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: -11.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -240.741347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.741347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.741347 (E_RNA)
where:
Base-Base interactions energy: -169.554
where: short stacking energy: -65.344
Base-Backbone interact. energy: 0.670
local terms energy: -71.856991
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -11.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -215.687154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.687154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.687154 (E_RNA)
where:
Base-Base interactions energy: -134.885
where: short stacking energy: -68.709
Base-Backbone interact. energy: -0.090
local terms energy: -80.711886
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -19.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -205.582167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.582167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.582167 (E_RNA)
where:
Base-Base interactions energy: -125.454
where: short stacking energy: -62.700
Base-Backbone interact. energy: -0.020
local terms energy: -80.108044
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -17.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -177.990581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.990581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.990581 (E_RNA)
where:
Base-Base interactions energy: -111.402
where: short stacking energy: -57.590
Base-Backbone interact. energy: -0.047
local terms energy: -66.541556
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -10.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -166.684948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.684948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.684948 (E_RNA)
where:
Base-Base interactions energy: -101.290
where: short stacking energy: -55.024
Base-Backbone interact. energy: -0.002
local terms energy: -65.392506
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -18.678
flat angles C4'-P-C4' energy: -10.455
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -11.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -127.911595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.911595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.911595 (E_RNA)
where:
Base-Base interactions energy: -64.417
where: short stacking energy: -42.202
Base-Backbone interact. energy: 1.936
local terms energy: -65.431046
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -9.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -111.030920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.030920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.030920 (E_RNA)
where:
Base-Base interactions energy: -58.720
where: short stacking energy: -37.562
Base-Backbone interact. energy: -0.558
local terms energy: -51.752844
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -5.179
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: 6
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -81.745439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.745439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.745439 (E_RNA)
where:
Base-Base interactions energy: -40.747
where: short stacking energy: -37.418
Base-Backbone interact. energy: -0.217
local terms energy: -40.782378
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -9.610
flat angles P-C4'-P energy: -4.633
tors. eta vs tors. theta energy: 0.352
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: 2
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -79.875321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.875321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.875321 (E_RNA)
where:
Base-Base interactions energy: -26.050
where: short stacking energy: -24.123
Base-Backbone interact. energy: -0.481
local terms energy: -53.343854
where:
bonds (distance) C4'-P energy: -18.746
bonds (distance) P-C4' energy: -10.125
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -2.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -241.608071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.608071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.608071 (E_RNA)
where:
Base-Base interactions energy: -166.470
where: short stacking energy: -73.588
Base-Backbone interact. energy: -0.237
local terms energy: -74.901635
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -18.234
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -14.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -237.746294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.746294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.746294 (E_RNA)
where:
Base-Base interactions energy: -171.353
where: short stacking energy: -65.215
Base-Backbone interact. energy: -0.794
local terms energy: -65.599125
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -4.895
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: 3, replica: 4
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -218.005067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.005067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.005067 (E_RNA)
where:
Base-Base interactions energy: -138.091
where: short stacking energy: -76.508
Base-Backbone interact. energy: -1.084
local terms energy: -78.829940
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -23.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -205.795101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.795101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.795101 (E_RNA)
where:
Base-Base interactions energy: -130.696
where: short stacking energy: -68.180
Base-Backbone interact. energy: 0.224
local terms energy: -75.322739
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -14.892
tors. eta vs tors. theta energy: -12.974
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: 8
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -172.585786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.585786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.585786 (E_RNA)
where:
Base-Base interactions energy: -106.958
where: short stacking energy: -61.978
Base-Backbone interact. energy: -0.041
local terms energy: -65.586535
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -12.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -170.488741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.488741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.488741 (E_RNA)
where:
Base-Base interactions energy: -103.198
where: short stacking energy: -55.467
Base-Backbone interact. energy: -0.034
local terms energy: -67.256762
where:
bonds (distance) C4'-P energy: -16.038
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -13.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -108.271924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.271924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.271924 (E_RNA)
where:
Base-Base interactions energy: -56.272
where: short stacking energy: -33.468
Base-Backbone interact. energy: -0.009
local terms energy: -51.990290
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -6.162
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -2.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -87.909932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.909932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.909932 (E_RNA)
where:
Base-Base interactions energy: -26.722
where: short stacking energy: -26.722
Base-Backbone interact. energy: 0.255
local terms energy: -61.443487
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -5.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -88.762609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.762609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.762609 (E_RNA)
where:
Base-Base interactions energy: -28.611
where: short stacking energy: -20.958
Base-Backbone interact. energy: 1.207
local terms energy: -61.358459
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -19.218
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -3.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -83.589067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.589067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.589067 (E_RNA)
where:
Base-Base interactions energy: -29.230
where: short stacking energy: -28.391
Base-Backbone interact. energy: -0.121
local terms energy: -54.238011
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -13.935
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -2.302
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: 3
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -232.921544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.921544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.921544 (E_RNA)
where:
Base-Base interactions energy: -160.713
where: short stacking energy: -64.717
Base-Backbone interact. energy: -0.978
local terms energy: -71.230550
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -4.847
tors. eta vs tors. theta energy: -14.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -239.541280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.541280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.541280 (E_RNA)
where:
Base-Base interactions energy: -171.395
where: short stacking energy: -71.227
Base-Backbone interact. energy: -0.319
local terms energy: -67.827518
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -15.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -222.286505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.286505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.286505 (E_RNA)
where:
Base-Base interactions energy: -142.694
where: short stacking energy: -77.643
Base-Backbone interact. energy: -0.582
local terms energy: -79.010446
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -12.025
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: 4, replica: 10
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -205.196629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.196629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.196629 (E_RNA)
where:
Base-Base interactions energy: -129.314
where: short stacking energy: -63.714
Base-Backbone interact. energy: -0.003
local terms energy: -75.879270
where:
bonds (distance) C4'-P energy: -10.076
bonds (distance) P-C4' energy: -13.062
flat angles C4'-P-C4' energy: -18.680
flat angles P-C4'-P energy: -15.336
tors. eta vs tors. theta energy: -18.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -163.940821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.940821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.940821 (E_RNA)
where:
Base-Base interactions energy: -93.141
where: short stacking energy: -47.044
Base-Backbone interact. energy: -0.343
local terms energy: -70.457366
where:
bonds (distance) C4'-P energy: -11.011
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -12.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -174.354627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.354627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.354627 (E_RNA)
where:
Base-Base interactions energy: -109.018
where: short stacking energy: -57.577
Base-Backbone interact. energy: -0.640
local terms energy: -64.696731
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -14.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -111.737299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.737299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.737299 (E_RNA)
where:
Base-Base interactions energy: -47.852
where: short stacking energy: -30.110
Base-Backbone interact. energy: -0.380
local terms energy: -63.505883
where:
bonds (distance) C4'-P energy: -17.817
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -8.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -89.234312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.234312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.234312 (E_RNA)
where:
Base-Base interactions energy: -34.205
where: short stacking energy: -33.431
Base-Backbone interact. energy: -0.158
local terms energy: -54.871088
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -4.332
tors. eta vs tors. theta energy: -5.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -87.839977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.839977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.839977 (E_RNA)
where:
Base-Base interactions energy: -30.585
where: short stacking energy: -30.729
Base-Backbone interact. energy: -0.036
local terms energy: -57.218589
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -6.847
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: 10, replica: 2
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -82.826857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.826857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.826857 (E_RNA)
where:
Base-Base interactions energy: -23.937
where: short stacking energy: -23.937
Base-Backbone interact. energy: -0.003
local terms energy: -58.886894
where:
bonds (distance) C4'-P energy: -18.728
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -3.079
tors. eta vs tors. theta energy: -6.391
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: 1, replica: 3
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -239.809193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.809193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.809193 (E_RNA)
where:
Base-Base interactions energy: -166.396
where: short stacking energy: -69.175
Base-Backbone interact. energy: -0.774
local terms energy: -72.638936
where:
bonds (distance) C4'-P energy: -17.160
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -12.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -237.302713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.302713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.302713 (E_RNA)
where:
Base-Base interactions energy: -162.819
where: short stacking energy: -67.496
Base-Backbone interact. energy: -0.246
local terms energy: -74.237885
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -12.456
flat angles C4'-P-C4' energy: -18.804
flat angles P-C4'-P energy: -13.338
tors. eta vs tors. theta energy: -15.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -208.191152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.191152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.191152 (E_RNA)
where:
Base-Base interactions energy: -126.624
where: short stacking energy: -75.045
Base-Backbone interact. energy: -0.626
local terms energy: -80.941656
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -19.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -205.340095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.340095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.340095 (E_RNA)
where:
Base-Base interactions energy: -128.682
where: short stacking energy: -60.888
Base-Backbone interact. energy: -0.969
local terms energy: -75.688940
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -10.070
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: 5, replica: 1
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -176.080673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.080673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.080673 (E_RNA)
where:
Base-Base interactions energy: -106.437
where: short stacking energy: -59.131
Base-Backbone interact. energy: -0.187
local terms energy: -69.457306
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -16.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -104.093482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.093482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.093482 (E_RNA)
where:
Base-Base interactions energy: -51.546
where: short stacking energy: -45.198
Base-Backbone interact. energy: -0.024
local terms energy: -52.523180
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -8.809
flat angles P-C4'-P energy: -0.056
tors. eta vs tors. theta energy: -13.986
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: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -174.194394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.194394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.194394 (E_RNA)
where:
Base-Base interactions energy: -103.890
where: short stacking energy: -57.752
Base-Backbone interact. energy: -0.185
local terms energy: -70.119386
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -16.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -98.022917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.022917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.022917 (E_RNA)
where:
Base-Base interactions energy: -41.869
where: short stacking energy: -37.997
Base-Backbone interact. energy: 0.088
local terms energy: -56.241943
where:
bonds (distance) C4'-P energy: -9.676
bonds (distance) P-C4' energy: -15.520
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -5.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -116.934623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.934623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.934623 (E_RNA)
where:
Base-Base interactions energy: -56.447
where: short stacking energy: -22.041
Base-Backbone interact. energy: 0.841
local terms energy: -61.328690
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -5.513
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: 2
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -80.839142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.839142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.839142 (E_RNA)
where:
Base-Base interactions energy: -33.945
where: short stacking energy: -33.689
Base-Backbone interact. energy: -0.200
local terms energy: -46.694252
where:
bonds (distance) C4'-P energy: -8.222
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -4.941
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: 1, replica: 5
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -241.935886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.935886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.935886 (E_RNA)
where:
Base-Base interactions energy: -165.541
where: short stacking energy: -68.838
Base-Backbone interact. energy: -0.461
local terms energy: -75.933668
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -17.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -239.342221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.342221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.342221 (E_RNA)
where:
Base-Base interactions energy: -164.903
where: short stacking energy: -68.786
Base-Backbone interact. energy: -0.011
local terms energy: -74.427647
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -12.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -213.174795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.174795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.174795 (E_RNA)
where:
Base-Base interactions energy: -133.529
where: short stacking energy: -69.326
Base-Backbone interact. energy: -0.018
local terms energy: -79.628407
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -20.276
flat angles P-C4'-P energy: -5.104
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: 4, replica: 4
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -205.525291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.525291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.525291 (E_RNA)
where:
Base-Base interactions energy: -127.813
where: short stacking energy: -65.129
Base-Backbone interact. energy: -1.053
local terms energy: -76.658795
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -18.741
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -15.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -160.201709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.201709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.201709 (E_RNA)
where:
Base-Base interactions energy: -85.100
where: short stacking energy: -54.128
Base-Backbone interact. energy: -1.795
local terms energy: -73.306727
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -12.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -107.324852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.324852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.324852 (E_RNA)
where:
Base-Base interactions energy: -53.141
where: short stacking energy: -40.609
Base-Backbone interact. energy: -0.089
local terms energy: -54.094426
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -4.652
tors. eta vs tors. theta energy: -7.917
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: 8
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -144.706690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.706690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.706690 (E_RNA)
where:
Base-Base interactions energy: -85.608
where: short stacking energy: -38.070
Base-Backbone interact. energy: -0.573
local terms energy: -58.525783
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -6.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -93.568423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.568423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.568423 (E_RNA)
where:
Base-Base interactions energy: -41.465
where: short stacking energy: -33.457
Base-Backbone interact. energy: -0.194
local terms energy: -51.908934
where:
bonds (distance) C4'-P energy: -9.003
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -3.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -85.495293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.495293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.495293 (E_RNA)
where:
Base-Base interactions energy: -35.887
where: short stacking energy: -28.725
Base-Backbone interact. energy: 0.268
local terms energy: -49.876584
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: 1.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -106.681364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.681364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.681364 (E_RNA)
where:
Base-Base interactions energy: -54.029
where: short stacking energy: -22.641
Base-Backbone interact. energy: -0.084
local terms energy: -52.568551
where:
bonds (distance) C4'-P energy: -17.896
bonds (distance) P-C4' energy: -10.844
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -0.474
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: 5
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -240.621203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.621203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.621203 (E_RNA)
where:
Base-Base interactions energy: -172.554
where: short stacking energy: -70.436
Base-Backbone interact. energy: -1.323
local terms energy: -66.744125
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -8.081
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: 2, replica: 10
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -204.574479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.574479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.574479 (E_RNA)
where:
Base-Base interactions energy: -123.056
where: short stacking energy: -73.373
Base-Backbone interact. energy: -0.009
local terms energy: -81.508938
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -15.312
tors. eta vs tors. theta energy: -17.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -231.913887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.913887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.913887 (E_RNA)
where:
Base-Base interactions energy: -156.361
where: short stacking energy: -66.767
Base-Backbone interact. energy: -0.128
local terms energy: -75.424144
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -14.747
tors. eta vs tors. theta energy: -15.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -217.974555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.974555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.974555 (E_RNA)
where:
Base-Base interactions energy: -134.894
where: short stacking energy: -66.408
Base-Backbone interact. energy: -0.547
local terms energy: -82.532925
where:
bonds (distance) C4'-P energy: -18.096
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -19.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -196.894016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.894016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.894016 (E_RNA)
where:
Base-Base interactions energy: -129.712
where: short stacking energy: -59.254
Base-Backbone interact. energy: -0.052
local terms energy: -67.129836
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -15.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -165.252326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.252326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.252326 (E_RNA)
where:
Base-Base interactions energy: -92.717
where: short stacking energy: -41.815
Base-Backbone interact. energy: -0.479
local terms energy: -72.055509
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -13.161
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: 7, replica: 7
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -104.663835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.663835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.663835 (E_RNA)
where:
Base-Base interactions energy: -47.109
where: short stacking energy: -42.607
Base-Backbone interact. energy: -0.041
local terms energy: -57.513493
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -6.905
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -9.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -89.654991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.654991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.654991 (E_RNA)
where:
Base-Base interactions energy: -29.794
where: short stacking energy: -29.640
Base-Backbone interact. energy: -0.171
local terms energy: -59.690686
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -3.640
tors. eta vs tors. theta energy: -6.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -95.537313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.537313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.537313 (E_RNA)
where:
Base-Base interactions energy: -42.513
where: short stacking energy: -23.462
Base-Backbone interact. energy: -0.220
local terms energy: -52.804139
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: 4.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -80.254159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.254159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.254159 (E_RNA)
where:
Base-Base interactions energy: -23.779
where: short stacking energy: -15.917
Base-Backbone interact. energy: 1.182
local terms energy: -57.657082
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -18.372
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: 3.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -237.976038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.976038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.976038 (E_RNA)
where:
Base-Base interactions energy: -167.300
where: short stacking energy: -69.179
Base-Backbone interact. energy: -0.721
local terms energy: -69.954862
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -12.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -200.467505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.467505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.467505 (E_RNA)
where:
Base-Base interactions energy: -115.810
where: short stacking energy: -70.728
Base-Backbone interact. energy: 0.143
local terms energy: -84.800492
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -14.421
tors. eta vs tors. theta energy: -21.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -231.298993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.298993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.298993 (E_RNA)
where:
Base-Base interactions energy: -152.685
where: short stacking energy: -62.627
Base-Backbone interact. energy: -0.888
local terms energy: -77.726195
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -14.369
tors. eta vs tors. theta energy: -14.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -193.445095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.445095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.445095 (E_RNA)
where:
Base-Base interactions energy: -121.288
where: short stacking energy: -59.657
Base-Backbone interact. energy: -0.219
local terms energy: -71.937171
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -17.123
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -14.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -198.501075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.501075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.501075 (E_RNA)
where:
Base-Base interactions energy: -121.675
where: short stacking energy: -61.708
Base-Backbone interact. energy: -0.106
local terms energy: -76.720036
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -14.117
tors. eta vs tors. theta energy: -19.422
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: 6, replica: 8
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -180.454310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.454310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.454310 (E_RNA)
where:
Base-Base interactions energy: -118.660
where: short stacking energy: -53.993
Base-Backbone interact. energy: -0.395
local terms energy: -61.398997
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -16.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -108.744114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.744114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.744114 (E_RNA)
where:
Base-Base interactions energy: -45.789
where: short stacking energy: -42.259
Base-Backbone interact. energy: -0.602
local terms energy: -62.352952
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -8.355
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: 8, replica: 7
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -93.929982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.929982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.929982 (E_RNA)
where:
Base-Base interactions energy: -42.081
where: short stacking energy: -42.081
Base-Backbone interact. energy: -0.226
local terms energy: -51.622737
where:
bonds (distance) C4'-P energy: -9.331
bonds (distance) P-C4' energy: -11.015
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -6.475
tors. eta vs tors. theta energy: -7.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -96.668520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.668520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.668520 (E_RNA)
where:
Base-Base interactions energy: -57.116
where: short stacking energy: -30.598
Base-Backbone interact. energy: -0.306
local terms energy: -39.246510
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -10.320
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -5.071
tors. eta vs tors. theta energy: 2.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -85.036662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.036662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.036662 (E_RNA)
where:
Base-Base interactions energy: -42.216
where: short stacking energy: -29.431
Base-Backbone interact. energy: -0.320
local terms energy: -42.500908
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -9.977
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: 5.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -250.532065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.532065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.532065 (E_RNA)
where:
Base-Base interactions energy: -170.316
where: short stacking energy: -71.590
Base-Backbone interact. energy: -0.418
local terms energy: -79.798019
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -14.299
tors. eta vs tors. theta energy: -14.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -232.464605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.464605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.464605 (E_RNA)
where:
Base-Base interactions energy: -156.040
where: short stacking energy: -67.453
Base-Backbone interact. energy: -1.671
local terms energy: -74.754449
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -14.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -212.087058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.087058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.087058 (E_RNA)
where:
Base-Base interactions energy: -136.495
where: short stacking energy: -62.001
Base-Backbone interact. energy: -0.083
local terms energy: -75.508712
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -16.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -202.602277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.602277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.602277 (E_RNA)
where:
Base-Base interactions energy: -120.163
where: short stacking energy: -66.269
Base-Backbone interact. energy: -0.067
local terms energy: -82.372246
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -21.287
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: 5, replica: 1
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -195.768451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.768451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.768451 (E_RNA)
where:
Base-Base interactions energy: -124.887
where: short stacking energy: -57.791
Base-Backbone interact. energy: -0.362
local terms energy: -70.520192
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -15.300
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: 6, replica: 8
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -178.097014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.097014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.097014 (E_RNA)
where:
Base-Base interactions energy: -110.942
where: short stacking energy: -57.651
Base-Backbone interact. energy: -0.023
local terms energy: -67.131972
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -12.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -96.879585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.879585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.879585 (E_RNA)
where:
Base-Base interactions energy: -44.354
where: short stacking energy: -29.852
Base-Backbone interact. energy: -0.210
local terms energy: -52.315500
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: 0.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -91.013994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.013994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.013994 (E_RNA)
where:
Base-Base interactions energy: -39.472
where: short stacking energy: -26.010
Base-Backbone interact. energy: 1.196
local terms energy: -52.737240
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: 0.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -95.095577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.095577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.095577 (E_RNA)
where:
Base-Base interactions energy: -43.458
where: short stacking energy: -28.888
Base-Backbone interact. energy: -0.477
local terms energy: -51.161037
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -11.577
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -2.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -86.713585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.713585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.713585 (E_RNA)
where:
Base-Base interactions energy: -36.662
where: short stacking energy: -32.658
Base-Backbone interact. energy: -0.009
local terms energy: -50.042717
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -8.551
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -2.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -238.838854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.838854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.838854 (E_RNA)
where:
Base-Base interactions energy: -160.700
where: short stacking energy: -70.493
Base-Backbone interact. energy: -0.541
local terms energy: -77.598195
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -13.006
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -238.416403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.416403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.416403 (E_RNA)
where:
Base-Base interactions energy: -164.659
where: short stacking energy: -70.814
Base-Backbone interact. energy: -0.299
local terms energy: -73.458271
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -15.826
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: 3, replica: 4
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -223.145755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.145755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.145755 (E_RNA)
where:
Base-Base interactions energy: -143.420
where: short stacking energy: -76.415
Base-Backbone interact. energy: -1.416
local terms energy: -78.310168
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -13.374
tors. eta vs tors. theta energy: -20.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -192.909628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.909628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.909628 (E_RNA)
where:
Base-Base interactions energy: -120.420
where: short stacking energy: -70.951
Base-Backbone interact. energy: -1.254
local terms energy: -71.235965
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -19.984
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: 8
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -189.127695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.127695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.127695 (E_RNA)
where:
Base-Base interactions energy: -112.388
where: short stacking energy: -58.715
Base-Backbone interact. energy: -0.220
local terms energy: -76.519649
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -15.148
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: 6, replica: 1
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -192.576034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.576034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.576034 (E_RNA)
where:
Base-Base interactions energy: -122.373
where: short stacking energy: -56.821
Base-Backbone interact. energy: 0.691
local terms energy: -70.893625
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -16.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -96.534316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.534316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.534316 (E_RNA)
where:
Base-Base interactions energy: -41.332
where: short stacking energy: -28.228
Base-Backbone interact. energy: 0.235
local terms energy: -55.436924
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -2.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -86.277531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.277531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.277531 (E_RNA)
where:
Base-Base interactions energy: -30.755
where: short stacking energy: -30.915
Base-Backbone interact. energy: -0.206
local terms energy: -55.317037
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -10.308
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -3.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -85.329722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.329722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.329722 (E_RNA)
where:
Base-Base interactions energy: -31.513
where: short stacking energy: -17.591
Base-Backbone interact. energy: 0.104
local terms energy: -53.920473
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: 1.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -82.048708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.048708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.048708 (E_RNA)
where:
Base-Base interactions energy: -29.015
where: short stacking energy: -24.307
Base-Backbone interact. energy: -0.791
local terms energy: -52.242298
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -11.270
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -2.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -240.077584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.077584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.077584 (E_RNA)
where:
Base-Base interactions energy: -160.017
where: short stacking energy: -74.444
Base-Backbone interact. energy: -0.554
local terms energy: -79.506683
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -11.261
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: 5
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -235.226216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.226216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.226216 (E_RNA)
where:
Base-Base interactions energy: -160.679
where: short stacking energy: -71.368
Base-Backbone interact. energy: -0.350
local terms energy: -74.197423
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -13.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -212.378027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.378027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.378027 (E_RNA)
where:
Base-Base interactions energy: -124.572
where: short stacking energy: -68.585
Base-Backbone interact. energy: -2.391
local terms energy: -85.414612
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -19.029
flat angles P-C4'-P energy: -15.457
tors. eta vs tors. theta energy: -19.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -191.754517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.754517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.754517 (E_RNA)
where:
Base-Base interactions energy: -115.504
where: short stacking energy: -63.908
Base-Backbone interact. energy: -0.000
local terms energy: -76.250522
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -19.084
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -10.468
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: 10
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -207.924434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.924434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.924434 (E_RNA)
where:
Base-Base interactions energy: -136.655
where: short stacking energy: -57.517
Base-Backbone interact. energy: -0.131
local terms energy: -71.138211
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -16.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -189.296383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.296383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.296383 (E_RNA)
where:
Base-Base interactions energy: -123.512
where: short stacking energy: -52.359
Base-Backbone interact. energy: -0.353
local terms energy: -65.430936
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -14.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -99.791798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.791798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.791798 (E_RNA)
where:
Base-Base interactions energy: -47.884
where: short stacking energy: -37.920
Base-Backbone interact. energy: -0.107
local terms energy: -51.801064
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: -1.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -92.862705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.862705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.862705 (E_RNA)
where:
Base-Base interactions energy: -38.545
where: short stacking energy: -29.474
Base-Backbone interact. energy: 3.283
local terms energy: -57.600277
where:
bonds (distance) C4'-P energy: -18.215
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -8.001
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: 2
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -94.252788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.252788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.252788 (E_RNA)
where:
Base-Base interactions energy: -39.666
where: short stacking energy: -39.666
Base-Backbone interact. energy: 0.244
local terms energy: -54.830959
where:
bonds (distance) C4'-P energy: -5.336
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -9.261
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: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -82.920723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.920723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.920723 (E_RNA)
where:
Base-Base interactions energy: -22.795
where: short stacking energy: -22.795
Base-Backbone interact. energy: -0.034
local terms energy: -60.092243
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -10.310
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: 1, replica: 3
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -241.600278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.600278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.600278 (E_RNA)
where:
Base-Base interactions energy: -161.102
where: short stacking energy: -74.694
Base-Backbone interact. energy: -0.495
local terms energy: -80.002517
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -16.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -240.326240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.326240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.326240 (E_RNA)
where:
Base-Base interactions energy: -160.474
where: short stacking energy: -66.933
Base-Backbone interact. energy: 0.216
local terms energy: -80.068802
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -14.360
tors. eta vs tors. theta energy: -17.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -206.880991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.880991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.880991 (E_RNA)
where:
Base-Base interactions energy: -126.818
where: short stacking energy: -71.157
Base-Backbone interact. energy: -0.531
local terms energy: -79.532241
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -19.111
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -19.719
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: 350
Temperature: 1.050000
Total energy: -202.682508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.682508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.682508 (E_RNA)
where:
Base-Base interactions energy: -125.313
where: short stacking energy: -65.889
Base-Backbone interact. energy: -0.326
local terms energy: -77.043514
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -10.897
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: 10
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -196.577252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.577252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.577252 (E_RNA)
where:
Base-Base interactions energy: -125.087
where: short stacking energy: -55.650
Base-Backbone interact. energy: -0.190
local terms energy: -71.301086
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -15.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -147.352199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.352199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.352199 (E_RNA)
where:
Base-Base interactions energy: -92.447
where: short stacking energy: -44.508
Base-Backbone interact. energy: -0.896
local terms energy: -54.009550
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -8.280
flat angles C4'-P-C4' energy: -9.992
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -12.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -163.119013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.119013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.119013 (E_RNA)
where:
Base-Base interactions energy: -108.437
where: short stacking energy: -45.589
Base-Backbone interact. energy: 1.862
local terms energy: -56.543157
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -5.208
tors. eta vs tors. theta energy: -10.508
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: 8, replica: 7
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -115.019788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.019788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.019788 (E_RNA)
where:
Base-Base interactions energy: -53.910
where: short stacking energy: -35.587
Base-Backbone interact. energy: 0.084
local terms energy: -61.194471
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -8.023
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: 9, replica: 9
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -105.028672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.028672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.028672 (E_RNA)
where:
Base-Base interactions energy: -49.605
where: short stacking energy: -49.605
Base-Backbone interact. energy: 2.394
local terms energy: -57.817308
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -7.922
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: 10, replica: 2
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -96.711551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.711551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.711551 (E_RNA)
where:
Base-Base interactions energy: -41.823
where: short stacking energy: -41.823
Base-Backbone interact. energy: -0.167
local terms energy: -54.722026
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -5.659
tors. eta vs tors. theta energy: -9.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -244.354464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.354464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.354464 (E_RNA)
where:
Base-Base interactions energy: -160.454
where: short stacking energy: -78.346
Base-Backbone interact. energy: -0.487
local terms energy: -83.412987
where:
bonds (distance) C4'-P energy: -17.421
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -13.002
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: 2, replica: 5
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -232.797808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.797808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.797808 (E_RNA)
where:
Base-Base interactions energy: -155.999
where: short stacking energy: -66.161
Base-Backbone interact. energy: 0.686
local terms energy: -77.484466
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -17.671
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -18.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -220.504597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.504597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.504597 (E_RNA)
where:
Base-Base interactions energy: -134.532
where: short stacking energy: -68.648
Base-Backbone interact. energy: -0.317
local terms energy: -85.655835
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -19.289
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -15.580
tors. eta vs tors. theta energy: -19.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -218.264632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.264632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.264632 (E_RNA)
where:
Base-Base interactions energy: -137.869
where: short stacking energy: -71.627
Base-Backbone interact. energy: -0.005
local terms energy: -80.390882
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -22.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -176.127727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.127727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.127727 (E_RNA)
where:
Base-Base interactions energy: -113.359
where: short stacking energy: -50.368
Base-Backbone interact. energy: -0.409
local terms energy: -62.359946
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -7.094
tors. eta vs tors. theta energy: -11.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -176.638470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.638470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.638470 (E_RNA)
where:
Base-Base interactions energy: -119.828
where: short stacking energy: -49.213
Base-Backbone interact. energy: -0.145
local terms energy: -56.665335
where:
bonds (distance) C4'-P energy: -8.103
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -8.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -146.754350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.754350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.754350 (E_RNA)
where:
Base-Base interactions energy: -87.355
where: short stacking energy: -35.785
Base-Backbone interact. energy: -0.454
local terms energy: -58.945180
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -8.765
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -6.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -86.000495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.000495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.000495 (E_RNA)
where:
Base-Base interactions energy: -36.332
where: short stacking energy: -23.351
Base-Backbone interact. energy: -0.484
local terms energy: -49.185196
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -10.911
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: 9, replica: 9
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -91.647509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.647509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.647509 (E_RNA)
where:
Base-Base interactions energy: -36.109
where: short stacking energy: -33.463
Base-Backbone interact. energy: -0.224
local terms energy: -55.313657
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -10.646
flat angles P-C4'-P energy: -12.815
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: 2
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -88.337913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.337913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.337913 (E_RNA)
where:
Base-Base interactions energy: -27.601
where: short stacking energy: -18.116
Base-Backbone interact. energy: -0.403
local terms energy: -60.334685
where:
bonds (distance) C4'-P energy: -9.110
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -18.631
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -6.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -243.929152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.929152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.929152 (E_RNA)
where:
Base-Base interactions energy: -168.332
where: short stacking energy: -68.081
Base-Backbone interact. energy: -0.689
local terms energy: -74.907806
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -20.884
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -13.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -238.520991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.520991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.520991 (E_RNA)
where:
Base-Base interactions energy: -163.222
where: short stacking energy: -64.284
Base-Backbone interact. energy: -0.240
local terms energy: -75.058809
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -10.651
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: 3, replica: 4
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -220.637929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.637929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.637929 (E_RNA)
where:
Base-Base interactions energy: -139.330
where: short stacking energy: -78.314
Base-Backbone interact. energy: -1.564
local terms energy: -79.744033
where:
bonds (distance) C4'-P energy: -10.713
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -22.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -204.807001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.807001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.807001 (E_RNA)
where:
Base-Base interactions energy: -129.722
where: short stacking energy: -69.512
Base-Backbone interact. energy: -0.892
local terms energy: -74.193231
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -7.746
flat angles C4'-P-C4' energy: -19.780
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -21.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -184.937495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.937495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.937495 (E_RNA)
where:
Base-Base interactions energy: -109.819
where: short stacking energy: -54.451
Base-Backbone interact. energy: -0.143
local terms energy: -74.974685
where:
bonds (distance) C4'-P energy: -17.400
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -14.323
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: 6
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -173.531594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.531594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.531594 (E_RNA)
where:
Base-Base interactions energy: -108.871
where: short stacking energy: -54.955
Base-Backbone interact. energy: -0.106
local terms energy: -64.554520
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -12.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -141.956892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.956892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.956892 (E_RNA)
where:
Base-Base interactions energy: -72.876
where: short stacking energy: -44.242
Base-Backbone interact. energy: -2.978
local terms energy: -66.102705
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -9.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -84.994080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.994080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.994080 (E_RNA)
where:
Base-Base interactions energy: -41.074
where: short stacking energy: -33.453
Base-Backbone interact. energy: -0.203
local terms energy: -43.716627
where:
bonds (distance) C4'-P energy: -9.275
bonds (distance) P-C4' energy: -12.309
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: -0.682
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: 2
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -87.142700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.142700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.142700 (E_RNA)
where:
Base-Base interactions energy: -28.687
where: short stacking energy: -26.600
Base-Backbone interact. energy: -0.084
local terms energy: -58.372061
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: 0.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -90.786163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.786163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.786163 (E_RNA)
where:
Base-Base interactions energy: -30.618
where: short stacking energy: -30.297
Base-Backbone interact. energy: -0.146
local terms energy: -60.022691
where:
bonds (distance) C4'-P energy: -17.731
bonds (distance) P-C4' energy: -18.302
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -6.639
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: 1, replica: 5
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -248.068691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.068691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.068691 (E_RNA)
where:
Base-Base interactions energy: -171.109
where: short stacking energy: -63.546
Base-Backbone interact. energy: -0.347
local terms energy: -76.612666
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -15.267
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -15.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -237.768884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.768884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.768884 (E_RNA)
where:
Base-Base interactions energy: -162.812
where: short stacking energy: -68.396
Base-Backbone interact. energy: -0.463
local terms energy: -74.493961
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -15.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -212.387122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.387122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.387122 (E_RNA)
where:
Base-Base interactions energy: -140.170
where: short stacking energy: -72.038
Base-Backbone interact. energy: -0.347
local terms energy: -71.869168
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -17.767
flat angles P-C4'-P energy: -6.050
tors. eta vs tors. theta energy: -15.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -180.930293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.930293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.930293 (E_RNA)
where:
Base-Base interactions energy: -112.556
where: short stacking energy: -56.068
Base-Backbone interact. energy: -0.012
local terms energy: -68.362763
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -12.397
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -14.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -193.503349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.503349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.503349 (E_RNA)
where:
Base-Base interactions energy: -116.398
where: short stacking energy: -56.351
Base-Backbone interact. energy: -0.193
local terms energy: -76.912604
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -21.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -111.850064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.850064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.850064 (E_RNA)
where:
Base-Base interactions energy: -59.344
where: short stacking energy: -44.537
Base-Backbone interact. energy: -0.238
local terms energy: -52.267969
where:
bonds (distance) C4'-P energy: -8.556
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -7.495
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -6.386
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: 6
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -131.381041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.381041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.381041 (E_RNA)
where:
Base-Base interactions energy: -70.168
where: short stacking energy: -40.126
Base-Backbone interact. energy: -0.235
local terms energy: -60.978777
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -7.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -90.814587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.814587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.814587 (E_RNA)
where:
Base-Base interactions energy: -45.308
where: short stacking energy: -20.103
Base-Backbone interact. energy: 0.365
local terms energy: -45.871781
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -9.073
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: 2.508
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: 353
Temperature: 1.300000
Total energy: -82.990509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.990509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.990509 (E_RNA)
where:
Base-Base interactions energy: -36.793
where: short stacking energy: -35.922
Base-Backbone interact. energy: -0.067
local terms energy: -46.130541
where:
bonds (distance) C4'-P energy: -8.069
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -4.703
tors. eta vs tors. theta energy: -3.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -85.178143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.178143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.178143 (E_RNA)
where:
Base-Base interactions energy: -36.066
where: short stacking energy: -15.623
Base-Backbone interact. energy: -0.566
local terms energy: -48.546437
where:
bonds (distance) C4'-P energy: -18.108
bonds (distance) P-C4' energy: -10.403
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: 4.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -237.124548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.124548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.124548 (E_RNA)
where:
Base-Base interactions energy: -159.980
where: short stacking energy: -69.511
Base-Backbone interact. energy: -0.196
local terms energy: -76.948480
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -17.906
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -18.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -233.902142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.902142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.902142 (E_RNA)
where:
Base-Base interactions energy: -157.553
where: short stacking energy: -69.127
Base-Backbone interact. energy: -0.005
local terms energy: -76.344928
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -10.819
flat angles C4'-P-C4' energy: -18.351
flat angles P-C4'-P energy: -13.969
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: 3, replica: 10
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -188.187516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.187516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.187516 (E_RNA)
where:
Base-Base interactions energy: -115.944
where: short stacking energy: -64.706
Base-Backbone interact. energy: -0.002
local terms energy: -72.241412
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -18.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -200.679707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.679707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.679707 (E_RNA)
where:
Base-Base interactions energy: -130.494
where: short stacking energy: -66.910
Base-Backbone interact. energy: -0.846
local terms energy: -69.339103
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -10.920
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -19.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -198.827990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.827990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.827990 (E_RNA)
where:
Base-Base interactions energy: -121.711
where: short stacking energy: -66.685
Base-Backbone interact. energy: -0.024
local terms energy: -77.092970
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -8.618
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: 6, replica: 1
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -114.563310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.563310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.563310 (E_RNA)
where:
Base-Base interactions energy: -51.393
where: short stacking energy: -38.075
Base-Backbone interact. energy: 0.844
local terms energy: -64.015077
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: -7.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -133.209505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.209505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.209505 (E_RNA)
where:
Base-Base interactions energy: -75.705
where: short stacking energy: -34.689
Base-Backbone interact. energy: -0.184
local terms energy: -57.320111
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -3.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -91.500288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.500288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.500288 (E_RNA)
where:
Base-Base interactions energy: -44.097
where: short stacking energy: -32.855
Base-Backbone interact. energy: -0.143
local terms energy: -47.259758
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -9.356
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: 0.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -89.948208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.948208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.948208 (E_RNA)
where:
Base-Base interactions energy: -39.840
where: short stacking energy: -24.498
Base-Backbone interact. energy: -0.222
local terms energy: -49.886293
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -2.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -92.934561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.934561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.934561 (E_RNA)
where:
Base-Base interactions energy: -36.715
where: short stacking energy: -36.715
Base-Backbone interact. energy: 1.036
local terms energy: -57.255098
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -6.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -239.218047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.218047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.218047 (E_RNA)
where:
Base-Base interactions energy: -171.560
where: short stacking energy: -70.400
Base-Backbone interact. energy: -0.045
local terms energy: -67.613172
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -14.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -230.064360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.064360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.064360 (E_RNA)
where:
Base-Base interactions energy: -157.522
where: short stacking energy: -59.117
Base-Backbone interact. energy: -0.413
local terms energy: -72.129182
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -16.416
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -13.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -198.854281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.854281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.854281 (E_RNA)
where:
Base-Base interactions energy: -119.452
where: short stacking energy: -68.261
Base-Backbone interact. energy: -0.121
local terms energy: -79.281332
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -18.277
flat angles C4'-P-C4' energy: -18.441
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -16.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -196.244885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.244885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.244885 (E_RNA)
where:
Base-Base interactions energy: -121.208
where: short stacking energy: -64.024
Base-Backbone interact. energy: -0.100
local terms energy: -74.937350
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -11.278
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -19.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -190.574638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.574638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.574638 (E_RNA)
where:
Base-Base interactions energy: -119.187
where: short stacking energy: -61.469
Base-Backbone interact. energy: -0.081
local terms energy: -71.306056
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -17.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -162.135690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.135690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.135690 (E_RNA)
where:
Base-Base interactions energy: -93.248
where: short stacking energy: -54.972
Base-Backbone interact. energy: -0.368
local terms energy: -68.519025
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -13.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -107.222971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.222971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.222971 (E_RNA)
where:
Base-Base interactions energy: -41.364
where: short stacking energy: -37.190
Base-Backbone interact. energy: -0.258
local terms energy: -65.601271
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -11.969
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -9.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -90.927036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.927036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.927036 (E_RNA)
where:
Base-Base interactions energy: -37.916
where: short stacking energy: -32.864
Base-Backbone interact. energy: 0.275
local terms energy: -53.285820
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -10.196
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -4.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -88.593026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.593026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.593026 (E_RNA)
where:
Base-Base interactions energy: -40.513
where: short stacking energy: -27.601
Base-Backbone interact. energy: -0.172
local terms energy: -47.908812
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: 0.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -102.032530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.032530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.032530 (E_RNA)
where:
Base-Base interactions energy: -38.124
where: short stacking energy: -34.048
Base-Backbone interact. energy: -0.201
local terms energy: -63.707227
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -19.053
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -4.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -235.540411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.540411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.540411 (E_RNA)
where:
Base-Base interactions energy: -167.406
where: short stacking energy: -69.476
Base-Backbone interact. energy: -0.375
local terms energy: -67.759396
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -10.272
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -14.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -235.707748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.707748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.707748 (E_RNA)
where:
Base-Base interactions energy: -161.980
where: short stacking energy: -68.985
Base-Backbone interact. energy: -0.002
local terms energy: -73.725396
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -11.926
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: 3, replica: 4
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -199.609007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.609007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.609007 (E_RNA)
where:
Base-Base interactions energy: -127.728
where: short stacking energy: -66.688
Base-Backbone interact. energy: -2.261
local terms energy: -69.619851
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -8.261
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: 4, replica: 10
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -195.684261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.684261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.684261 (E_RNA)
where:
Base-Base interactions energy: -119.501
where: short stacking energy: -65.750
Base-Backbone interact. energy: -0.038
local terms energy: -76.144894
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -16.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -194.242933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.242933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.242933 (E_RNA)
where:
Base-Base interactions energy: -117.634
where: short stacking energy: -64.681
Base-Backbone interact. energy: -0.022
local terms energy: -76.586278
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -15.205
tors. eta vs tors. theta energy: -17.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -137.477266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.477266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.477266 (E_RNA)
where:
Base-Base interactions energy: -72.562
where: short stacking energy: -29.574
Base-Backbone interact. energy: -0.022
local terms energy: -64.894007
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -5.002
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: 9
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -100.802093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.802093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.802093 (E_RNA)
where:
Base-Base interactions energy: -44.676
where: short stacking energy: -31.761
Base-Backbone interact. energy: -0.164
local terms energy: -55.962806
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -12.661
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -8.027
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: 1
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -103.878333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.878333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.878333 (E_RNA)
where:
Base-Base interactions energy: -49.466
where: short stacking energy: -49.466
Base-Backbone interact. energy: -1.533
local terms energy: -52.879277
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -11.167
flat angles C4'-P-C4' energy: -9.586
flat angles P-C4'-P energy: -6.634
tors. eta vs tors. theta energy: -11.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -82.636371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.636371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.636371 (E_RNA)
where:
Base-Base interactions energy: -33.379
where: short stacking energy: -27.566
Base-Backbone interact. energy: -1.195
local terms energy: -48.063112
where:
bonds (distance) C4'-P energy: -8.753
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -5.424
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: 10, replica: 2
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -91.457696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.457696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.457696 (E_RNA)
where:
Base-Base interactions energy: -40.690
where: short stacking energy: -25.415
Base-Backbone interact. energy: 0.397
local terms energy: -51.164381
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -2.043
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: 3
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -235.600991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.600991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.600991 (E_RNA)
where:
Base-Base interactions energy: -164.216
where: short stacking energy: -67.564
Base-Backbone interact. energy: 0.892
local terms energy: -72.277271
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -9.672
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: 2, replica: 5
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -242.665871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.665871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.665871 (E_RNA)
where:
Base-Base interactions energy: -167.942
where: short stacking energy: -58.485
Base-Backbone interact. energy: -0.546
local terms energy: -74.177718
where:
bonds (distance) C4'-P energy: -19.631
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -15.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -206.249311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.249311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.249311 (E_RNA)
where:
Base-Base interactions energy: -127.026
where: short stacking energy: -66.282
Base-Backbone interact. energy: -0.124
local terms energy: -79.098733
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -12.675
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: 4, replica: 8
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -221.336590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.336590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.336590 (E_RNA)
where:
Base-Base interactions energy: -134.254
where: short stacking energy: -75.504
Base-Backbone interact. energy: -0.072
local terms energy: -87.010261
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -20.152
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -25.855
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: 10
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -196.608880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.608880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.608880 (E_RNA)
where:
Base-Base interactions energy: -120.395
where: short stacking energy: -65.060
Base-Backbone interact. energy: -0.006
local terms energy: -76.207862
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -17.658
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -17.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -164.222356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.222356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.222356 (E_RNA)
where:
Base-Base interactions energy: -90.848
where: short stacking energy: -50.232
Base-Backbone interact. energy: -0.204
local terms energy: -73.170068
where:
bonds (distance) C4'-P energy: -17.325
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -8.708
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: 7, replica: 9
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -118.187171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.187171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.187171 (E_RNA)
where:
Base-Base interactions energy: -54.039
where: short stacking energy: -40.176
Base-Backbone interact. energy: -0.298
local terms energy: -63.850786
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -4.806
tors. eta vs tors. theta energy: -10.469
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: 1
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -94.907314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.907314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.907314 (E_RNA)
where:
Base-Base interactions energy: -32.818
where: short stacking energy: -31.835
Base-Backbone interact. energy: -0.254
local terms energy: -61.834739
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -3.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -84.393055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.393055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.393055 (E_RNA)
where:
Base-Base interactions energy: -35.875
where: short stacking energy: -30.514
Base-Backbone interact. energy: -0.064
local terms energy: -48.454137
where:
bonds (distance) C4'-P energy: -10.308
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -7.643
flat angles P-C4'-P energy: -5.915
tors. eta vs tors. theta energy: -5.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -82.716874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.716874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.716874 (E_RNA)
where:
Base-Base interactions energy: -35.502
where: short stacking energy: -31.099
Base-Backbone interact. energy: -0.290
local terms energy: -46.925058
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -17.906
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -4.612
tors. eta vs tors. theta energy: 0.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -243.858555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.858555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.858555 (E_RNA)
where:
Base-Base interactions energy: -161.315
where: short stacking energy: -70.674
Base-Backbone interact. energy: -0.853
local terms energy: -81.690772
where:
bonds (distance) C4'-P energy: -18.273
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -18.821
flat angles P-C4'-P energy: -14.342
tors. eta vs tors. theta energy: -14.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -235.508171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.508171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.508171 (E_RNA)
where:
Base-Base interactions energy: -157.608
where: short stacking energy: -58.132
Base-Backbone interact. energy: -0.023
local terms energy: -77.877721
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -14.567
tors. eta vs tors. theta energy: -16.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -201.503502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.503502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.503502 (E_RNA)
where:
Base-Base interactions energy: -129.943
where: short stacking energy: -67.207
Base-Backbone interact. energy: -0.006
local terms energy: -71.554161
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -17.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -193.364335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.364335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.364335 (E_RNA)
where:
Base-Base interactions energy: -130.464
where: short stacking energy: -69.959
Base-Backbone interact. energy: -0.228
local terms energy: -62.672989
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -13.580
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: 10
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -184.990935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.990935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.990935 (E_RNA)
where:
Base-Base interactions energy: -120.920
where: short stacking energy: -54.866
Base-Backbone interact. energy: -0.675
local terms energy: -63.395170
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -18.909
flat angles P-C4'-P energy: -4.551
tors. eta vs tors. theta energy: -13.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -161.645971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.645971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.645971 (E_RNA)
where:
Base-Base interactions energy: -100.044
where: short stacking energy: -54.856
Base-Backbone interact. energy: -0.243
local terms energy: -61.358759
where:
bonds (distance) C4'-P energy: -9.793
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -13.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -105.373461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.373461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.373461 (E_RNA)
where:
Base-Base interactions energy: -35.485
where: short stacking energy: -35.485
Base-Backbone interact. energy: -0.979
local terms energy: -68.909330
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -11.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -93.150191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.150191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.150191 (E_RNA)
where:
Base-Base interactions energy: -43.647
where: short stacking energy: -26.737
Base-Backbone interact. energy: -1.790
local terms energy: -47.713037
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: 2.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -85.049857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.049857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.049857 (E_RNA)
where:
Base-Base interactions energy: -36.740
where: short stacking energy: -25.510
Base-Backbone interact. energy: -0.222
local terms energy: -48.088667
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -8.190
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: 358
Temperature: 1.350000
Total energy: -87.025706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.025706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.025706 (E_RNA)
where:
Base-Base interactions energy: -31.671
where: short stacking energy: -30.097
Base-Backbone interact. energy: 0.455
local terms energy: -55.810039
where:
bonds (distance) C4'-P energy: -18.001
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -4.705
tors. eta vs tors. theta energy: -3.886
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: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -244.688552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.688552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.688552 (E_RNA)
where:
Base-Base interactions energy: -169.090
where: short stacking energy: -71.644
Base-Backbone interact. energy: -0.934
local terms energy: -74.664271
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -12.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -231.461564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.461564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.461564 (E_RNA)
where:
Base-Base interactions energy: -151.367
where: short stacking energy: -59.763
Base-Backbone interact. energy: -0.978
local terms energy: -79.116904
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -18.663
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -11.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -206.907146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.907146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.907146 (E_RNA)
where:
Base-Base interactions energy: -126.789
where: short stacking energy: -69.166
Base-Backbone interact. energy: -0.006
local terms energy: -80.111508
where:
bonds (distance) C4'-P energy: -17.405
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -20.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -198.984004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.984004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.984004 (E_RNA)
where:
Base-Base interactions energy: -122.398
where: short stacking energy: -56.929
Base-Backbone interact. energy: -0.025
local terms energy: -76.560531
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -13.420
tors. eta vs tors. theta energy: -21.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -182.799562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.799562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.799562 (E_RNA)
where:
Base-Base interactions energy: -106.641
where: short stacking energy: -58.049
Base-Backbone interact. energy: -0.102
local terms energy: -76.056926
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -17.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -165.208096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.208096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.208096 (E_RNA)
where:
Base-Base interactions energy: -96.747
where: short stacking energy: -49.293
Base-Backbone interact. energy: -0.286
local terms energy: -68.175008
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -9.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -90.429242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.429242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.429242 (E_RNA)
where:
Base-Base interactions energy: -32.846
where: short stacking energy: -31.463
Base-Backbone interact. energy: -0.122
local terms energy: -57.461519
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -5.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -108.539705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.539705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.539705 (E_RNA)
where:
Base-Base interactions energy: -47.274
where: short stacking energy: -44.152
Base-Backbone interact. energy: -0.132
local terms energy: -61.134506
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -8.227
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -10.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -86.103008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.103008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.103008 (E_RNA)
where:
Base-Base interactions energy: -22.167
where: short stacking energy: -21.865
Base-Backbone interact. energy: -0.008
local terms energy: -63.928028
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -2.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -84.035609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.035609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.035609 (E_RNA)
where:
Base-Base interactions energy: -28.666
where: short stacking energy: -28.243
Base-Backbone interact. energy: -0.088
local terms energy: -55.281711
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -11.664
flat angles P-C4'-P energy: -6.825
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: 1, replica: 5
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -242.171538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.171538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.171538 (E_RNA)
where:
Base-Base interactions energy: -165.153
where: short stacking energy: -68.371
Base-Backbone interact. energy: 0.421
local terms energy: -77.439073
where:
bonds (distance) C4'-P energy: -17.772
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -18.280
flat angles P-C4'-P energy: -11.297
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: 2, replica: 3
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -237.758558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.758558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.758558 (E_RNA)
where:
Base-Base interactions energy: -165.389
where: short stacking energy: -74.589
Base-Backbone interact. energy: -0.361
local terms energy: -72.008553
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -12.535
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: 10
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -206.008293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.008293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.008293 (E_RNA)
where:
Base-Base interactions energy: -127.948
where: short stacking energy: -67.648
Base-Backbone interact. energy: 0.220
local terms energy: -78.279513
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -18.391
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -16.579
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: 4, replica: 4
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -193.903680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.903680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.903680 (E_RNA)
where:
Base-Base interactions energy: -120.917
where: short stacking energy: -65.193
Base-Backbone interact. energy: -0.020
local terms energy: -72.967314
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -18.099
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -15.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -178.377569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.377569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.377569 (E_RNA)
where:
Base-Base interactions energy: -112.664
where: short stacking energy: -51.526
Base-Backbone interact. energy: -0.658
local terms energy: -65.056229
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -13.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -168.011036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.011036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.011036 (E_RNA)
where:
Base-Base interactions energy: -93.142
where: short stacking energy: -54.538
Base-Backbone interact. energy: -0.067
local terms energy: -74.802038
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -6.605
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: 7, replica: 2
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -107.642112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.642112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.642112 (E_RNA)
where:
Base-Base interactions energy: -45.590
where: short stacking energy: -43.933
Base-Backbone interact. energy: 0.069
local terms energy: -62.121148
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -6.811
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: 8, replica: 1
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -91.744705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.744705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.744705 (E_RNA)
where:
Base-Base interactions energy: -35.590
where: short stacking energy: -29.519
Base-Backbone interact. energy: 2.877
local terms energy: -59.032121
where:
bonds (distance) C4'-P energy: -17.230
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -1.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -85.128417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.128417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.128417 (E_RNA)
where:
Base-Base interactions energy: -28.901
where: short stacking energy: -28.901
Base-Backbone interact. energy: -0.156
local terms energy: -56.070910
where:
bonds (distance) C4'-P energy: -6.739
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -5.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -88.581483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.581483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.581483 (E_RNA)
where:
Base-Base interactions energy: -35.354
where: short stacking energy: -31.085
Base-Backbone interact. energy: -0.158
local terms energy: -53.070063
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -19.078
flat angles C4'-P-C4' energy: -10.639
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -2.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -250.354436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.354436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.354436 (E_RNA)
where:
Base-Base interactions energy: -174.982
where: short stacking energy: -64.312
Base-Backbone interact. energy: -0.816
local terms energy: -74.556555
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -7.141
tors. eta vs tors. theta energy: -16.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -211.538669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.538669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.538669 (E_RNA)
where:
Base-Base interactions energy: -131.787
where: short stacking energy: -63.875
Base-Backbone interact. energy: -0.004
local terms energy: -79.747907
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -17.618
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -10.972
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: 3, replica: 3
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -229.743272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.743272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.743272 (E_RNA)
where:
Base-Base interactions energy: -157.807
where: short stacking energy: -70.487
Base-Backbone interact. energy: -0.557
local terms energy: -71.379155
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -16.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -185.211623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.211623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.211623 (E_RNA)
where:
Base-Base interactions energy: -117.519
where: short stacking energy: -61.431
Base-Backbone interact. energy: -0.426
local terms energy: -67.266763
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -12.660
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -6.772
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: 5, replica: 4
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -190.305175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.305175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.305175 (E_RNA)
where:
Base-Base interactions energy: -125.663
where: short stacking energy: -61.592
Base-Backbone interact. energy: -0.014
local terms energy: -64.628425
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -14.994
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: 2
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -104.879981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.879981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.879981 (E_RNA)
where:
Base-Base interactions energy: -41.165
where: short stacking energy: -25.211
Base-Backbone interact. energy: -0.105
local terms energy: -63.609970
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -7.865
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: 7, replica: 6
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -152.098052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.098052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.098052 (E_RNA)
where:
Base-Base interactions energy: -92.275
where: short stacking energy: -51.262
Base-Backbone interact. energy: 0.344
local terms energy: -60.167023
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -10.078
flat angles P-C4'-P energy: -6.513
tors. eta vs tors. theta energy: -14.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -95.093285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.093285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.093285 (E_RNA)
where:
Base-Base interactions energy: -32.582
where: short stacking energy: -31.777
Base-Backbone interact. energy: 0.681
local terms energy: -63.192707
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -17.630
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -9.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -88.594809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.594809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.594809 (E_RNA)
where:
Base-Base interactions energy: -36.425
where: short stacking energy: -31.395
Base-Backbone interact. energy: -0.407
local terms energy: -51.762619
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -4.291
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: 9
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -90.720437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.720437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.720437 (E_RNA)
where:
Base-Base interactions energy: -39.762
where: short stacking energy: -22.585
Base-Backbone interact. energy: -0.211
local terms energy: -50.747696
where:
bonds (distance) C4'-P energy: -12.085
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -4.644
tors. eta vs tors. theta energy: 1.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -244.102004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.102004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.102004 (E_RNA)
where:
Base-Base interactions energy: -167.400
where: short stacking energy: -67.963
Base-Backbone interact. energy: -0.936
local terms energy: -75.765995
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -15.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -209.630553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.630553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.630553 (E_RNA)
where:
Base-Base interactions energy: -128.063
where: short stacking energy: -69.283
Base-Backbone interact. energy: -0.004
local terms energy: -81.564104
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -13.000
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: 3
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -226.668975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.668975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.668975 (E_RNA)
where:
Base-Base interactions energy: -153.460
where: short stacking energy: -60.767
Base-Backbone interact. energy: -0.061
local terms energy: -73.148159
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -18.740
flat angles P-C4'-P energy: -9.055
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: 4, replica: 8
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -207.787606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.787606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.787606 (E_RNA)
where:
Base-Base interactions energy: -125.604
where: short stacking energy: -70.977
Base-Backbone interact. energy: -1.032
local terms energy: -81.151621
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -21.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -206.732016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.732016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.732016 (E_RNA)
where:
Base-Base interactions energy: -136.610
where: short stacking energy: -69.932
Base-Backbone interact. energy: -0.101
local terms energy: -70.021546
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -19.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -128.469791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.469791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.469791 (E_RNA)
where:
Base-Base interactions energy: -59.736
where: short stacking energy: -39.338
Base-Backbone interact. energy: -0.127
local terms energy: -68.606091
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -12.378
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: 7, replica: 6
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -128.752438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.752438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.752438 (E_RNA)
where:
Base-Base interactions energy: -79.014
where: short stacking energy: -45.963
Base-Backbone interact. energy: 2.070
local terms energy: -51.808978
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -5.257
tors. eta vs tors. theta energy: -1.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -107.297688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.297688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.297688 (E_RNA)
where:
Base-Base interactions energy: -45.283
where: short stacking energy: -36.857
Base-Backbone interact. energy: -0.068
local terms energy: -61.946507
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -8.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -95.151866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.151866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.151866 (E_RNA)
where:
Base-Base interactions energy: -44.681
where: short stacking energy: -33.943
Base-Backbone interact. energy: 0.609
local terms energy: -51.080037
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -0.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -78.537787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.537787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.537787 (E_RNA)
where:
Base-Base interactions energy: -29.467
where: short stacking energy: -26.821
Base-Backbone interact. energy: 1.440
local terms energy: -50.510776
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -3.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -242.151979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.151979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.151979 (E_RNA)
where:
Base-Base interactions energy: -169.198
where: short stacking energy: -72.167
Base-Backbone interact. energy: 1.585
local terms energy: -74.539412
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -14.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -235.178137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.178137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.178137 (E_RNA)
where:
Base-Base interactions energy: -158.997
where: short stacking energy: -73.685
Base-Backbone interact. energy: 0.032
local terms energy: -76.213183
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -17.234
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: 3, replica: 10
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -205.256831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.256831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.256831 (E_RNA)
where:
Base-Base interactions energy: -136.724
where: short stacking energy: -63.128
Base-Backbone interact. energy: -0.002
local terms energy: -68.531258
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -4.138
tors. eta vs tors. theta energy: -13.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -198.685804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.685804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.685804 (E_RNA)
where:
Base-Base interactions energy: -121.611
where: short stacking energy: -58.610
Base-Backbone interact. energy: -0.212
local terms energy: -76.862700
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -9.520
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: 5, replica: 8
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -165.620854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.620854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.620854 (E_RNA)
where:
Base-Base interactions energy: -105.262
where: short stacking energy: -61.397
Base-Backbone interact. energy: 0.564
local terms energy: -60.922235
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -12.185
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -10.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -111.387090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.387090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.387090 (E_RNA)
where:
Base-Base interactions energy: -60.797
where: short stacking energy: -41.059
Base-Backbone interact. energy: -0.229
local terms energy: -50.360693
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -17.788
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -6.064
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: 7, replica: 2
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -115.190496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.190496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.190496 (E_RNA)
where:
Base-Base interactions energy: -46.260
where: short stacking energy: -46.260
Base-Backbone interact. energy: -0.138
local terms energy: -68.792633
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -10.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -104.064924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.064924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.064924 (E_RNA)
where:
Base-Base interactions energy: -51.274
where: short stacking energy: -28.572
Base-Backbone interact. energy: 1.699
local terms energy: -54.489365
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -10.429
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: 9, replica: 7
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -91.662981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.662981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.662981 (E_RNA)
where:
Base-Base interactions energy: -33.589
where: short stacking energy: -29.232
Base-Backbone interact. energy: -0.107
local terms energy: -57.967656
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -3.946
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: 1
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -88.750774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.750774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.750774 (E_RNA)
where:
Base-Base interactions energy: -29.229
where: short stacking energy: -24.783
Base-Backbone interact. energy: -0.262
local terms energy: -59.260055
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -2.865
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: 5
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -247.155090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.155090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.155090 (E_RNA)
where:
Base-Base interactions energy: -165.976
where: short stacking energy: -69.073
Base-Backbone interact. energy: -0.442
local terms energy: -80.737725
where:
bonds (distance) C4'-P energy: -18.266
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -19.179
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -14.547
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: 3
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -238.003019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.003019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.003019 (E_RNA)
where:
Base-Base interactions energy: -163.332
where: short stacking energy: -59.670
Base-Backbone interact. energy: -1.105
local terms energy: -73.566038
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -15.423
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: 4
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -201.830301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.830301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.830301 (E_RNA)
where:
Base-Base interactions energy: -131.755
where: short stacking energy: -66.829
Base-Backbone interact. energy: -0.007
local terms energy: -70.068434
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -13.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -192.806552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.806552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.806552 (E_RNA)
where:
Base-Base interactions energy: -122.972
where: short stacking energy: -70.365
Base-Backbone interact. energy: -0.006
local terms energy: -69.829188
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -18.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -192.139380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.139380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.139380 (E_RNA)
where:
Base-Base interactions energy: -118.325
where: short stacking energy: -57.869
Base-Backbone interact. energy: -0.126
local terms energy: -73.688459
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -16.304
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: 6
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -114.346326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.346326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.346326 (E_RNA)
where:
Base-Base interactions energy: -51.444
where: short stacking energy: -38.974
Base-Backbone interact. energy: -0.210
local terms energy: -62.692895
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -6.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -100.483729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.483729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.483729 (E_RNA)
where:
Base-Base interactions energy: -44.905
where: short stacking energy: -39.263
Base-Backbone interact. energy: 0.229
local terms energy: -55.807384
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -4.254
tors. eta vs tors. theta energy: -8.018
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: 2
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -88.315487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.315487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.315487 (E_RNA)
where:
Base-Base interactions energy: -32.331
where: short stacking energy: -24.710
Base-Backbone interact. energy: -2.131
local terms energy: -53.852894
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -18.623
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -9.488
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: 9, replica: 1
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -98.113222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.113222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.113222 (E_RNA)
where:
Base-Base interactions energy: -45.503
where: short stacking energy: -26.238
Base-Backbone interact. energy: -0.876
local terms energy: -51.733933
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -6.275
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -5.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -142.825154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.825154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.825154 (E_RNA)
where:
Base-Base interactions energy: -84.532
where: short stacking energy: -37.481
Base-Backbone interact. energy: -0.150
local terms energy: -58.143897
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -10.512
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -5.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -241.145680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.145680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.145680 (E_RNA)
where:
Base-Base interactions energy: -168.462
where: short stacking energy: -75.380
Base-Backbone interact. energy: 1.614
local terms energy: -74.297253
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -9.638
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: 2, replica: 3
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -239.920619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.920619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.920619 (E_RNA)
where:
Base-Base interactions energy: -164.818
where: short stacking energy: -70.821
Base-Backbone interact. energy: -0.491
local terms energy: -74.611568
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -17.121
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -14.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -192.127744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.127744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.127744 (E_RNA)
where:
Base-Base interactions energy: -121.542
where: short stacking energy: -61.461
Base-Backbone interact. energy: -0.061
local terms energy: -70.525632
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -12.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -199.529988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.529988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.529988 (E_RNA)
where:
Base-Base interactions energy: -123.771
where: short stacking energy: -67.097
Base-Backbone interact. energy: -0.202
local terms energy: -75.556671
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -18.322
flat angles P-C4'-P energy: -10.317
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: 5, replica: 8
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -187.378052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.378052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.378052 (E_RNA)
where:
Base-Base interactions energy: -125.811
where: short stacking energy: -54.481
Base-Backbone interact. energy: -0.798
local terms energy: -60.769163
where:
bonds (distance) C4'-P energy: -10.540
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -10.377
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -11.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -112.942232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.942232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.942232 (E_RNA)
where:
Base-Base interactions energy: -52.731
where: short stacking energy: -50.649
Base-Backbone interact. energy: -0.173
local terms energy: -60.038083
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -9.756
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -9.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -94.511536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.511536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.511536 (E_RNA)
where:
Base-Base interactions energy: -35.335
where: short stacking energy: -32.199
Base-Backbone interact. energy: -0.349
local terms energy: -58.828384
where:
bonds (distance) C4'-P energy: -14.796
bonds (distance) P-C4' energy: -16.570
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -2.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -97.270970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.270970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.270970 (E_RNA)
where:
Base-Base interactions energy: -43.745
where: short stacking energy: -35.934
Base-Backbone interact. energy: 1.869
local terms energy: -55.394954
where:
bonds (distance) C4'-P energy: -7.662
bonds (distance) P-C4' energy: -14.897
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -11.809
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: 9, replica: 1
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -79.571539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.571539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.571539 (E_RNA)
where:
Base-Base interactions energy: -30.774
where: short stacking energy: -27.058
Base-Backbone interact. energy: -0.455
local terms energy: -48.342952
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: 1.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -113.337204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.337204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.337204 (E_RNA)
where:
Base-Base interactions energy: -66.929
where: short stacking energy: -25.788
Base-Backbone interact. energy: -0.391
local terms energy: -46.017896
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -9.333
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -11.374
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: 5
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -244.531200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.531200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.531200 (E_RNA)
where:
Base-Base interactions energy: -165.406
where: short stacking energy: -70.245
Base-Backbone interact. energy: -0.307
local terms energy: -78.818048
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -16.098
tors. eta vs tors. theta energy: -15.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -237.653563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.653563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.653563 (E_RNA)
where:
Base-Base interactions energy: -162.459
where: short stacking energy: -67.943
Base-Backbone interact. energy: -0.116
local terms energy: -75.078754
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -14.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -208.415992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.415992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.415992 (E_RNA)
where:
Base-Base interactions energy: -126.654
where: short stacking energy: -77.144
Base-Backbone interact. energy: 0.435
local terms energy: -82.196597
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -19.842
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: 366
Temperature: 1.050000
Total energy: -199.436917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.436917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.436917 (E_RNA)
where:
Base-Base interactions energy: -133.440
where: short stacking energy: -65.679
Base-Backbone interact. energy: -0.185
local terms energy: -65.811504
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -10.596
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -15.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -196.806102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.806102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.806102 (E_RNA)
where:
Base-Base interactions energy: -126.061
where: short stacking energy: -63.146
Base-Backbone interact. energy: -0.140
local terms energy: -70.604845
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -10.843
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -16.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -96.530968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.530968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.530968 (E_RNA)
where:
Base-Base interactions energy: -43.251
where: short stacking energy: -35.714
Base-Backbone interact. energy: -0.342
local terms energy: -52.938007
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -11.017
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -3.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -101.495522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.495522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.495522 (E_RNA)
where:
Base-Base interactions energy: -50.106
where: short stacking energy: -28.535
Base-Backbone interact. energy: -0.618
local terms energy: -50.771155
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -11.767
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -6.608
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: 6
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -99.444073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.444073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.444073 (E_RNA)
where:
Base-Base interactions energy: -46.939
where: short stacking energy: -43.677
Base-Backbone interact. energy: 1.856
local terms energy: -54.361213
where:
bonds (distance) C4'-P energy: -11.013
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -10.344
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -10.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -101.255360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.255360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.255360 (E_RNA)
where:
Base-Base interactions energy: -45.156
where: short stacking energy: -42.791
Base-Backbone interact. energy: -0.114
local terms energy: -55.985777
where:
bonds (distance) C4'-P energy: -11.533
bonds (distance) P-C4' energy: -6.689
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -12.194
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: 10, replica: 7
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -84.403685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.403685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.403685 (E_RNA)
where:
Base-Base interactions energy: -29.206
where: short stacking energy: -25.349
Base-Backbone interact. energy: -0.700
local terms energy: -54.497966
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -3.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -243.861833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.861833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.861833 (E_RNA)
where:
Base-Base interactions energy: -158.953
where: short stacking energy: -76.321
Base-Backbone interact. energy: -0.751
local terms energy: -84.158048
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -17.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -236.277506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.277506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.277506 (E_RNA)
where:
Base-Base interactions energy: -162.475
where: short stacking energy: -69.541
Base-Backbone interact. energy: -0.757
local terms energy: -73.045658
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -14.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -196.794006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.794006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.794006 (E_RNA)
where:
Base-Base interactions energy: -128.188
where: short stacking energy: -66.890
Base-Backbone interact. energy: -0.068
local terms energy: -68.537887
where:
bonds (distance) C4'-P energy: -8.842
bonds (distance) P-C4' energy: -19.289
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -13.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -208.007784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.007784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.007784 (E_RNA)
where:
Base-Base interactions energy: -122.183
where: short stacking energy: -64.836
Base-Backbone interact. energy: -0.613
local terms energy: -85.211945
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -15.508
tors. eta vs tors. theta energy: -21.372
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: 5, replica: 8
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -198.627119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.627119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.627119 (E_RNA)
where:
Base-Base interactions energy: -120.594
where: short stacking energy: -66.065
Base-Backbone interact. energy: -0.121
local terms energy: -77.912015
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -18.756
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: 6, replica: 2
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -110.676675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.676675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.676675 (E_RNA)
where:
Base-Base interactions energy: -55.398
where: short stacking energy: -41.080
Base-Backbone interact. energy: 0.510
local terms energy: -55.788241
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -3.923
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: 367
Temperature: 1.200000
Total energy: -103.052527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.052527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.052527 (E_RNA)
where:
Base-Base interactions energy: -48.173
where: short stacking energy: -42.193
Base-Backbone interact. energy: 0.178
local terms energy: -55.057444
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -10.364
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: 8, replica: 1
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -98.021392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.021392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.021392 (E_RNA)
where:
Base-Base interactions energy: -35.599
where: short stacking energy: -35.599
Base-Backbone interact. energy: -0.090
local terms energy: -62.332616
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -18.869
flat angles C4'-P-C4' energy: -6.445
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -9.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -86.855612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.855612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.855612 (E_RNA)
where:
Base-Base interactions energy: -46.489
where: short stacking energy: -20.874
Base-Backbone interact. energy: -0.580
local terms energy: -39.786642
where:
bonds (distance) C4'-P energy: -9.706
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: 7.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -86.977541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.977541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.977541 (E_RNA)
where:
Base-Base interactions energy: -35.101
where: short stacking energy: -33.929
Base-Backbone interact. energy: 1.273
local terms energy: -53.148992
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -17.532
flat angles C4'-P-C4' energy: -11.159
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -3.598
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: 5
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -239.697105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.697105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.697105 (E_RNA)
where:
Base-Base interactions energy: -164.575
where: short stacking energy: -64.771
Base-Backbone interact. energy: -0.793
local terms energy: -74.328384
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -19.277
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -13.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -234.160017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.160017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.160017 (E_RNA)
where:
Base-Base interactions energy: -164.672
where: short stacking energy: -74.647
Base-Backbone interact. energy: -0.211
local terms energy: -69.277605
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -18.856
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -17.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -217.795828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.795828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.795828 (E_RNA)
where:
Base-Base interactions energy: -138.154
where: short stacking energy: -75.510
Base-Backbone interact. energy: -0.005
local terms energy: -79.637145
where:
bonds (distance) C4'-P energy: -12.424
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -19.451
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -20.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -187.082296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.082296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.082296 (E_RNA)
where:
Base-Base interactions energy: -110.879
where: short stacking energy: -53.775
Base-Backbone interact. energy: 0.833
local terms energy: -77.035767
where:
bonds (distance) C4'-P energy: -18.493
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -14.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -177.546176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.546176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.546176 (E_RNA)
where:
Base-Base interactions energy: -116.483
where: short stacking energy: -54.643
Base-Backbone interact. energy: -0.470
local terms energy: -60.593376
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -10.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -104.571033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.571033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.571033 (E_RNA)
where:
Base-Base interactions energy: -43.878
where: short stacking energy: -32.589
Base-Backbone interact. energy: -0.031
local terms energy: -60.662152
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -4.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -95.491744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.491744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.491744 (E_RNA)
where:
Base-Base interactions energy: -40.419
where: short stacking energy: -37.594
Base-Backbone interact. energy: -0.085
local terms energy: -54.988027
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -6.843
flat angles P-C4'-P energy: -7.172
tors. eta vs tors. theta energy: -9.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -91.796131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.796131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.796131 (E_RNA)
where:
Base-Base interactions energy: -31.130
where: short stacking energy: -29.262
Base-Backbone interact. energy: -0.290
local terms energy: -60.376565
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -6.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -93.343408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.343408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.343408 (E_RNA)
where:
Base-Base interactions energy: -47.320
where: short stacking energy: -30.270
Base-Backbone interact. energy: 2.131
local terms energy: -48.154733
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -12.261
flat angles C4'-P-C4' energy: -6.918
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -5.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -90.726363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.726363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.726363 (E_RNA)
where:
Base-Base interactions energy: -37.972
where: short stacking energy: -37.972
Base-Backbone interact. energy: 1.022
local terms energy: -53.775884
where:
bonds (distance) C4'-P energy: -10.461
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -5.860
tors. eta vs tors. theta energy: -4.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -240.163421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.163421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.163421 (E_RNA)
where:
Base-Base interactions energy: -165.012
where: short stacking energy: -71.435
Base-Backbone interact. energy: -0.579
local terms energy: -74.571826
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -14.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -241.840885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.840885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.840885 (E_RNA)
where:
Base-Base interactions energy: -170.262
where: short stacking energy: -77.003
Base-Backbone interact. energy: -0.148
local terms energy: -71.430698
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -16.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -211.428951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.428951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.428951 (E_RNA)
where:
Base-Base interactions energy: -131.174
where: short stacking energy: -67.980
Base-Backbone interact. energy: -0.073
local terms energy: -80.181990
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -12.169
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: 4, replica: 8
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -202.280835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.280835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.280835 (E_RNA)
where:
Base-Base interactions energy: -128.892
where: short stacking energy: -69.381
Base-Backbone interact. energy: -0.195
local terms energy: -73.193513
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -16.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -175.562481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.562481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.562481 (E_RNA)
where:
Base-Base interactions energy: -108.476
where: short stacking energy: -58.680
Base-Backbone interact. energy: -0.227
local terms energy: -66.859633
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -14.032
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: 2
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -105.487415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.487415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.487415 (E_RNA)
where:
Base-Base interactions energy: -45.043
where: short stacking energy: -38.132
Base-Backbone interact. energy: -1.397
local terms energy: -59.047698
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -6.749
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: 7, replica: 1
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -100.848308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.848308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.848308 (E_RNA)
where:
Base-Base interactions energy: -48.092
where: short stacking energy: -45.646
Base-Backbone interact. energy: -0.195
local terms energy: -52.561127
where:
bonds (distance) C4'-P energy: -6.991
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -4.766
tors. eta vs tors. theta energy: -6.783
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: 7
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -83.499977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.499977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.499977 (E_RNA)
where:
Base-Base interactions energy: -42.962
where: short stacking energy: -27.143
Base-Backbone interact. energy: -0.102
local terms energy: -40.435825
where:
bonds (distance) C4'-P energy: -4.962
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -4.705
tors. eta vs tors. theta energy: -2.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -95.645333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.645333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.645333 (E_RNA)
where:
Base-Base interactions energy: -29.809
where: short stacking energy: -29.809
Base-Backbone interact. energy: -0.530
local terms energy: -65.305879
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -1.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -81.540897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.540897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.540897 (E_RNA)
where:
Base-Base interactions energy: -36.514
where: short stacking energy: -32.984
Base-Backbone interact. energy: -0.219
local terms energy: -44.807363
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -5.261
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -1.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -241.900107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.900107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.900107 (E_RNA)
where:
Base-Base interactions energy: -165.507
where: short stacking energy: -70.653
Base-Backbone interact. energy: 0.076
local terms energy: -76.469331
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -9.698
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: 2, replica: 5
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -238.067905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.067905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.067905 (E_RNA)
where:
Base-Base interactions energy: -161.368
where: short stacking energy: -70.918
Base-Backbone interact. energy: -1.213
local terms energy: -75.487312
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -11.428
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -17.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -209.402450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.402450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.402450 (E_RNA)
where:
Base-Base interactions energy: -131.936
where: short stacking energy: -71.308
Base-Backbone interact. energy: 0.062
local terms energy: -77.529244
where:
bonds (distance) C4'-P energy: -11.952
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -21.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -205.587134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.587134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.587134 (E_RNA)
where:
Base-Base interactions energy: -134.926
where: short stacking energy: -62.916
Base-Backbone interact. energy: -0.074
local terms energy: -70.586738
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -16.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -195.536105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.536105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.536105 (E_RNA)
where:
Base-Base interactions energy: -121.850
where: short stacking energy: -71.629
Base-Backbone interact. energy: -0.148
local terms energy: -73.537805
where:
bonds (distance) C4'-P energy: -9.072
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: -20.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -114.181499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.181499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.181499 (E_RNA)
where:
Base-Base interactions energy: -50.017
where: short stacking energy: -43.207
Base-Backbone interact. energy: 1.115
local terms energy: -65.279557
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -19.102
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -5.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -106.097116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.097116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.097116 (E_RNA)
where:
Base-Base interactions energy: -41.501
where: short stacking energy: -38.063
Base-Backbone interact. energy: -0.101
local terms energy: -64.495042
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -20.162
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -4.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -84.495683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.495683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.495683 (E_RNA)
where:
Base-Base interactions energy: -32.891
where: short stacking energy: -29.138
Base-Backbone interact. energy: 1.170
local terms energy: -52.774916
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -7.725
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -5.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -84.071996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.071996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.071996 (E_RNA)
where:
Base-Base interactions energy: -34.526
where: short stacking energy: -28.350
Base-Backbone interact. energy: -0.278
local terms energy: -49.267117
where:
bonds (distance) C4'-P energy: -11.640
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -1.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -84.511625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.511625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.511625 (E_RNA)
where:
Base-Base interactions energy: -32.298
where: short stacking energy: -24.991
Base-Backbone interact. energy: 0.378
local terms energy: -52.590728
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: 0.281
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: 1, replica: 3
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -237.286663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.286663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.286663 (E_RNA)
where:
Base-Base interactions energy: -156.055
where: short stacking energy: -67.415
Base-Backbone interact. energy: -0.807
local terms energy: -80.425339
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -20.223
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -16.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -234.953630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.953630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.953630 (E_RNA)
where:
Base-Base interactions energy: -158.339
where: short stacking energy: -60.201
Base-Backbone interact. energy: 2.222
local terms energy: -78.836589
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -13.469
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: 3, replica: 8
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -192.350892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.350892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.350892 (E_RNA)
where:
Base-Base interactions energy: -117.679
where: short stacking energy: -70.817
Base-Backbone interact. energy: -0.053
local terms energy: -74.619793
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -6.715
tors. eta vs tors. theta energy: -19.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -211.533922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.533922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.533922 (E_RNA)
where:
Base-Base interactions energy: -138.646
where: short stacking energy: -69.146
Base-Backbone interact. energy: -0.052
local terms energy: -72.836225
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -10.930
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -18.088
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: 371
Temperature: 1.100000
Total energy: -191.259999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.259999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.259999 (E_RNA)
where:
Base-Base interactions energy: -111.577
where: short stacking energy: -60.075
Base-Backbone interact. energy: -0.033
local terms energy: -79.650023
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -15.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -106.370460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.370460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.370460 (E_RNA)
where:
Base-Base interactions energy: -53.339
where: short stacking energy: -36.869
Base-Backbone interact. energy: -0.589
local terms energy: -52.442315
where:
bonds (distance) C4'-P energy: -9.653
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -3.262
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: 2
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -91.636402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.636402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.636402 (E_RNA)
where:
Base-Base interactions energy: -42.320
where: short stacking energy: -26.254
Base-Backbone interact. energy: -0.277
local terms energy: -49.039290
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -18.057
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -2.841
tors. eta vs tors. theta energy: 0.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -102.312065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.312065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.312065 (E_RNA)
where:
Base-Base interactions energy: -57.362
where: short stacking energy: -38.027
Base-Backbone interact. energy: -0.245
local terms energy: -44.704703
where:
bonds (distance) C4'-P energy: -7.249
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: -4.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -92.461300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.461300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.461300 (E_RNA)
where:
Base-Base interactions energy: -39.994
where: short stacking energy: -29.641
Base-Backbone interact. energy: -0.221
local terms energy: -52.246284
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -6.831
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -8.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -78.861918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.861918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.861918 (E_RNA)
where:
Base-Base interactions energy: -22.602
where: short stacking energy: -22.398
Base-Backbone interact. energy: -0.141
local terms energy: -56.118896
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -4.689
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: 5
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -232.629849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.629849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.629849 (E_RNA)
where:
Base-Base interactions energy: -156.565
where: short stacking energy: -56.633
Base-Backbone interact. energy: -0.065
local terms energy: -75.999761
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -19.948
flat angles C4'-P-C4' energy: -19.077
flat angles P-C4'-P energy: -5.094
tors. eta vs tors. theta energy: -16.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -229.533781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.533781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.533781 (E_RNA)
where:
Base-Base interactions energy: -145.383
where: short stacking energy: -68.102
Base-Backbone interact. energy: 0.830
local terms energy: -84.981346
where:
bonds (distance) C4'-P energy: -18.381
bonds (distance) P-C4' energy: -19.657
flat angles C4'-P-C4' energy: -18.342
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -17.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -198.377002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.377002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.377002 (E_RNA)
where:
Base-Base interactions energy: -123.365
where: short stacking energy: -54.061
Base-Backbone interact. energy: -0.701
local terms energy: -74.310904
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -18.313
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -14.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -174.189221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.189221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.189221 (E_RNA)
where:
Base-Base interactions energy: -108.278
where: short stacking energy: -53.791
Base-Backbone interact. energy: -0.025
local terms energy: -65.885924
where:
bonds (distance) C4'-P energy: -18.125
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -9.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -126.912128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.912128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.912128 (E_RNA)
where:
Base-Base interactions energy: -66.053
where: short stacking energy: -51.617
Base-Backbone interact. energy: -0.334
local terms energy: -60.524614
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -6.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -164.844411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.844411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.844411 (E_RNA)
where:
Base-Base interactions energy: -98.051
where: short stacking energy: -57.171
Base-Backbone interact. energy: -1.242
local terms energy: -65.550909
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -7.492
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: 7, replica: 9
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -118.387410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.387410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.387410 (E_RNA)
where:
Base-Base interactions energy: -57.265
where: short stacking energy: -32.107
Base-Backbone interact. energy: -0.722
local terms energy: -60.400538
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -5.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -93.719030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.719030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.719030 (E_RNA)
where:
Base-Base interactions energy: -36.289
where: short stacking energy: -31.925
Base-Backbone interact. energy: -0.069
local terms energy: -57.360968
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -9.730
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -7.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -80.707564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.707564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.707564 (E_RNA)
where:
Base-Base interactions energy: -34.430
where: short stacking energy: -30.739
Base-Backbone interact. energy: 1.156
local terms energy: -47.432894
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -2.825
tors. eta vs tors. theta energy: -4.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -88.281415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.281415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.281415 (E_RNA)
where:
Base-Base interactions energy: -40.503
where: short stacking energy: -29.135
Base-Backbone interact. energy: -0.275
local terms energy: -47.503268
where:
bonds (distance) C4'-P energy: -17.574
bonds (distance) P-C4' energy: -11.599
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: 2.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -224.596245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.596245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.596245 (E_RNA)
where:
Base-Base interactions energy: -151.876
where: short stacking energy: -65.203
Base-Backbone interact. energy: -0.235
local terms energy: -72.484574
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -13.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -235.776655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.776655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.776655 (E_RNA)
where:
Base-Base interactions energy: -158.342
where: short stacking energy: -73.364
Base-Backbone interact. energy: -0.529
local terms energy: -76.905160
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -17.581
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -11.330
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: 3, replica: 4
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -208.631589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.631589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.631589 (E_RNA)
where:
Base-Base interactions energy: -133.099
where: short stacking energy: -61.204
Base-Backbone interact. energy: -0.608
local terms energy: -74.925194
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -17.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -207.140590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.140590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.140590 (E_RNA)
where:
Base-Base interactions energy: -130.899
where: short stacking energy: -66.402
Base-Backbone interact. energy: -0.278
local terms energy: -75.963384
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -23.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -109.885774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.885774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.885774 (E_RNA)
where:
Base-Base interactions energy: -55.773
where: short stacking energy: -24.727
Base-Backbone interact. energy: -0.300
local terms energy: -53.813111
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -15.873
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -9.028
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: 6, replica: 10
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -171.433879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.433879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.433879 (E_RNA)
where:
Base-Base interactions energy: -101.615
where: short stacking energy: -56.193
Base-Backbone interact. energy: -0.050
local terms energy: -69.768714
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -13.511
tors. eta vs tors. theta energy: -11.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -97.678174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.678174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.678174 (E_RNA)
where:
Base-Base interactions energy: -45.121
where: short stacking energy: -41.283
Base-Backbone interact. energy: -0.350
local terms energy: -52.207147
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -4.987
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: 8, replica: 6
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -96.826717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.826717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.826717 (E_RNA)
where:
Base-Base interactions energy: -44.002
where: short stacking energy: -38.385
Base-Backbone interact. energy: -0.277
local terms energy: -52.547319
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -2.731
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: 2
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -108.369109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.369109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.369109 (E_RNA)
where:
Base-Base interactions energy: -62.678
where: short stacking energy: -28.533
Base-Backbone interact. energy: -0.199
local terms energy: -45.491863
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -9.675
flat angles P-C4'-P energy: -7.999
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: 10, replica: 1
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -91.069529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.069529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.069529 (E_RNA)
where:
Base-Base interactions energy: -33.009
where: short stacking energy: -24.793
Base-Backbone interact. energy: -0.557
local terms energy: -57.503108
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -6.299
tors. eta vs tors. theta energy: -5.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -242.677910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.677910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.677910 (E_RNA)
where:
Base-Base interactions energy: -164.943
where: short stacking energy: -69.510
Base-Backbone interact. energy: 0.064
local terms energy: -77.799185
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -18.792
flat angles C4'-P-C4' energy: -18.219
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -12.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -237.986616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.986616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.986616 (E_RNA)
where:
Base-Base interactions energy: -160.861
where: short stacking energy: -74.307
Base-Backbone interact. energy: -0.781
local terms energy: -76.345465
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -11.737
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: 8
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -211.013315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.013315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.013315 (E_RNA)
where:
Base-Base interactions energy: -132.124
where: short stacking energy: -70.853
Base-Backbone interact. energy: -0.126
local terms energy: -78.763434
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -13.330
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: 4, replica: 4
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -195.033560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.033560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.033560 (E_RNA)
where:
Base-Base interactions energy: -116.186
where: short stacking energy: -58.562
Base-Backbone interact. energy: -0.151
local terms energy: -78.696685
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -20.681
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -16.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -183.877087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.877087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.877087 (E_RNA)
where:
Base-Base interactions energy: -115.372
where: short stacking energy: -58.471
Base-Backbone interact. energy: 1.544
local terms energy: -70.049065
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -14.033
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: 7
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -111.469892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.469892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.469892 (E_RNA)
where:
Base-Base interactions energy: -38.926
where: short stacking energy: -35.069
Base-Backbone interact. energy: -0.244
local terms energy: -72.300245
where:
bonds (distance) C4'-P energy: -18.592
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -11.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -99.816346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.816346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.816346 (E_RNA)
where:
Base-Base interactions energy: -45.870
where: short stacking energy: -29.793
Base-Backbone interact. energy: -0.333
local terms energy: -53.612963
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -10.805
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -3.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -97.048848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.048848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.048848 (E_RNA)
where:
Base-Base interactions energy: -45.316
where: short stacking energy: -39.720
Base-Backbone interact. energy: -0.088
local terms energy: -51.644250
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: -7.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -86.947413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.947413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.947413 (E_RNA)
where:
Base-Base interactions energy: -37.516
where: short stacking energy: -36.304
Base-Backbone interact. energy: -0.075
local terms energy: -49.356420
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -6.246
tors. eta vs tors. theta energy: -2.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -79.400395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.400395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.400395 (E_RNA)
where:
Base-Base interactions energy: -42.256
where: short stacking energy: -20.937
Base-Backbone interact. energy: -0.370
local terms energy: -36.774669
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -13.139
flat angles C4'-P-C4' energy: -7.239
flat angles P-C4'-P energy: -5.384
tors. eta vs tors. theta energy: 2.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -245.106908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.106908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.106908 (E_RNA)
where:
Base-Base interactions energy: -174.335
where: short stacking energy: -66.038
Base-Backbone interact. energy: -0.480
local terms energy: -70.292458
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -14.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -234.919580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.919580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.919580 (E_RNA)
where:
Base-Base interactions energy: -156.747
where: short stacking energy: -75.603
Base-Backbone interact. energy: -0.431
local terms energy: -77.741742
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -18.488
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -14.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -217.707085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.707085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.707085 (E_RNA)
where:
Base-Base interactions energy: -138.505
where: short stacking energy: -70.411
Base-Backbone interact. energy: -1.045
local terms energy: -78.156583
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -22.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -195.664590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.664590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.664590 (E_RNA)
where:
Base-Base interactions energy: -117.056
where: short stacking energy: -60.145
Base-Backbone interact. energy: 0.142
local terms energy: -78.750332
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -20.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -204.785748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.785748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.785748 (E_RNA)
where:
Base-Base interactions energy: -130.223
where: short stacking energy: -66.415
Base-Backbone interact. energy: -0.406
local terms energy: -74.157171
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -15.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -98.846797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.846797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.846797 (E_RNA)
where:
Base-Base interactions energy: -32.039
where: short stacking energy: -29.803
Base-Backbone interact. energy: -0.509
local terms energy: -66.298618
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -19.949
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -1.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -95.347827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.347827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.347827 (E_RNA)
where:
Base-Base interactions energy: -37.547
where: short stacking energy: -30.336
Base-Backbone interact. energy: -0.152
local terms energy: -57.648653
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -11.500
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: 8, replica: 1
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -100.604900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.604900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.604900 (E_RNA)
where:
Base-Base interactions energy: -40.233
where: short stacking energy: -40.164
Base-Backbone interact. energy: -0.163
local terms energy: -60.208995
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -4.565
tors. eta vs tors. theta energy: -9.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -87.926783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.926783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.926783 (E_RNA)
where:
Base-Base interactions energy: -27.232
where: short stacking energy: -27.232
Base-Backbone interact. energy: 0.734
local terms energy: -61.428884
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -3.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -82.417029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.417029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.417029 (E_RNA)
where:
Base-Base interactions energy: -25.145
where: short stacking energy: -25.145
Base-Backbone interact. energy: -0.489
local terms energy: -56.783392
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -5.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -234.441624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.441624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.441624 (E_RNA)
where:
Base-Base interactions energy: -163.443
where: short stacking energy: -61.696
Base-Backbone interact. energy: 0.402
local terms energy: -71.400326
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -12.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -244.507679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.507679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.507679 (E_RNA)
where:
Base-Base interactions energy: -166.046
where: short stacking energy: -72.928
Base-Backbone interact. energy: -1.241
local terms energy: -77.221649
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -15.493
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: 8
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -217.975601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.975601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.975601 (E_RNA)
where:
Base-Base interactions energy: -130.968
where: short stacking energy: -71.381
Base-Backbone interact. energy: 0.610
local terms energy: -87.617568
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -22.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -194.594911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.594911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.594911 (E_RNA)
where:
Base-Base interactions energy: -122.452
where: short stacking energy: -57.339
Base-Backbone interact. energy: -0.053
local terms energy: -72.090194
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -13.187
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: 4
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -197.072068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.072068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.072068 (E_RNA)
where:
Base-Base interactions energy: -122.342
where: short stacking energy: -56.006
Base-Backbone interact. energy: -0.093
local terms energy: -74.636751
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -19.071
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -18.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -105.904949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.904949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.904949 (E_RNA)
where:
Base-Base interactions energy: -45.259
where: short stacking energy: -36.744
Base-Backbone interact. energy: -0.468
local terms energy: -60.178124
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -12.801
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -10.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -89.072520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.072520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.072520 (E_RNA)
where:
Base-Base interactions energy: -33.708
where: short stacking energy: -27.032
Base-Backbone interact. energy: -0.222
local terms energy: -55.142913
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -3.767
tors. eta vs tors. theta energy: -0.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -95.968991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.968991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.968991 (E_RNA)
where:
Base-Base interactions energy: -32.837
where: short stacking energy: -32.837
Base-Backbone interact. energy: -0.170
local terms energy: -62.962586
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -9.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -80.860434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.860434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.860434 (E_RNA)
where:
Base-Base interactions energy: -29.608
where: short stacking energy: -20.367
Base-Backbone interact. energy: -0.181
local terms energy: -51.071532
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -1.364
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: 9
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -129.094071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.094071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.094071 (E_RNA)
where:
Base-Base interactions energy: -77.260
where: short stacking energy: -44.007
Base-Backbone interact. energy: -0.179
local terms energy: -51.654520
where:
bonds (distance) C4'-P energy: -7.617
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -5.834
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: 1, replica: 5
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -240.906534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.906534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.906534 (E_RNA)
where:
Base-Base interactions energy: -170.865
where: short stacking energy: -66.437
Base-Backbone interact. energy: -0.951
local terms energy: -69.090831
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -13.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -237.907314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.907314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.907314 (E_RNA)
where:
Base-Base interactions energy: -163.671
where: short stacking energy: -71.416
Base-Backbone interact. energy: -0.281
local terms energy: -73.954717
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -13.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -224.878315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.878315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.878315 (E_RNA)
where:
Base-Base interactions energy: -139.683
where: short stacking energy: -79.085
Base-Backbone interact. energy: -0.631
local terms energy: -84.564057
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -25.168
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: 4
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -186.767236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.767236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.767236 (E_RNA)
where:
Base-Base interactions energy: -119.908
where: short stacking energy: -55.916
Base-Backbone interact. energy: 0.876
local terms energy: -67.735116
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -13.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -192.500718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.500718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.500718 (E_RNA)
where:
Base-Base interactions energy: -122.544
where: short stacking energy: -65.908
Base-Backbone interact. energy: -0.067
local terms energy: -69.888892
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -16.705
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -7.859
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: 6, replica: 1
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -105.902709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.902709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.902709 (E_RNA)
where:
Base-Base interactions energy: -47.476
where: short stacking energy: -35.152
Base-Backbone interact. energy: -0.242
local terms energy: -58.184799
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -4.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -115.930128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.930128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.930128 (E_RNA)
where:
Base-Base interactions energy: -57.642
where: short stacking energy: -41.807
Base-Backbone interact. energy: -0.547
local terms energy: -57.740670
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -11.971
flat angles P-C4'-P energy: -6.091
tors. eta vs tors. theta energy: -5.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -91.412407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.412407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.412407 (E_RNA)
where:
Base-Base interactions energy: -40.482
where: short stacking energy: -34.398
Base-Backbone interact. energy: -0.126
local terms energy: -50.803694
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: 0.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -90.879461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.879461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.879461 (E_RNA)
where:
Base-Base interactions energy: -38.086
where: short stacking energy: -28.059
Base-Backbone interact. energy: 0.493
local terms energy: -53.286420
where:
bonds (distance) C4'-P energy: -11.322
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -6.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -88.453817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.453817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.453817 (E_RNA)
where:
Base-Base interactions energy: -36.817
where: short stacking energy: -32.230
Base-Backbone interact. energy: -0.214
local terms energy: -51.422594
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -10.043
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -4.875
tors. eta vs tors. theta energy: -8.656
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: 1, replica: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -238.745535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.745535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.745535 (E_RNA)
where:
Base-Base interactions energy: -162.835
where: short stacking energy: -66.223
Base-Backbone interact. energy: -0.951
local terms energy: -74.959821
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -10.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -233.898170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.898170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.898170 (E_RNA)
where:
Base-Base interactions energy: -163.721
where: short stacking energy: -67.473
Base-Backbone interact. energy: -0.868
local terms energy: -69.308680
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -13.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -218.216599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.216599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.216599 (E_RNA)
where:
Base-Base interactions energy: -136.980
where: short stacking energy: -70.395
Base-Backbone interact. energy: -0.110
local terms energy: -81.126852
where:
bonds (distance) C4'-P energy: -18.203
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -19.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -226.579163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.579163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.579163 (E_RNA)
where:
Base-Base interactions energy: -142.125
where: short stacking energy: -75.777
Base-Backbone interact. energy: -0.082
local terms energy: -84.372086
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -23.561
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: 5, replica: 10
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -179.858068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.858068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.858068 (E_RNA)
where:
Base-Base interactions energy: -106.704
where: short stacking energy: -54.999
Base-Backbone interact. energy: -0.006
local terms energy: -73.147542
where:
bonds (distance) C4'-P energy: -19.396
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -16.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -130.395450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.395450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.395450 (E_RNA)
where:
Base-Base interactions energy: -66.889
where: short stacking energy: -60.786
Base-Backbone interact. energy: 0.134
local terms energy: -63.640237
where:
bonds (distance) C4'-P energy: -1.344
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -17.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -102.596803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.596803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.596803 (E_RNA)
where:
Base-Base interactions energy: -48.663
where: short stacking energy: -36.898
Base-Backbone interact. energy: 0.674
local terms energy: -54.608548
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -3.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -112.747657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.747657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.747657 (E_RNA)
where:
Base-Base interactions energy: -66.726
where: short stacking energy: -39.286
Base-Backbone interact. energy: -0.309
local terms energy: -45.712698
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -10.446
flat angles P-C4'-P energy: -0.662
tors. eta vs tors. theta energy: -7.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -87.784358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.784358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.784358 (E_RNA)
where:
Base-Base interactions energy: -32.451
where: short stacking energy: -29.266
Base-Backbone interact. energy: -0.421
local terms energy: -54.911998
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -9.786
flat angles P-C4'-P energy: -11.567
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: 10, replica: 7
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -83.101229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.101229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.101229 (E_RNA)
where:
Base-Base interactions energy: -29.250
where: short stacking energy: -20.646
Base-Backbone interact. energy: -0.303
local terms energy: -53.548909
where:
bonds (distance) C4'-P energy: -17.216
bonds (distance) P-C4' energy: -18.059
flat angles C4'-P-C4' energy: -10.178
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -0.322
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: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -233.146184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.146184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.146184 (E_RNA)
where:
Base-Base interactions energy: -153.245
where: short stacking energy: -64.849
Base-Backbone interact. energy: -0.581
local terms energy: -79.320314
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -19.997
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -14.551
tors. eta vs tors. theta energy: -14.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -218.635312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.635312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.635312 (E_RNA)
where:
Base-Base interactions energy: -130.082
where: short stacking energy: -74.119
Base-Backbone interact. energy: -0.442
local terms energy: -88.111255
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -16.162
flat angles C4'-P-C4' energy: -18.917
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -21.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -239.089352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.089352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.089352 (E_RNA)
where:
Base-Base interactions energy: -162.394
where: short stacking energy: -71.407
Base-Backbone interact. energy: -0.456
local terms energy: -76.239353
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -18.727
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -16.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -201.497911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.497911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.497911 (E_RNA)
where:
Base-Base interactions energy: -125.414
where: short stacking energy: -69.590
Base-Backbone interact. energy: -0.061
local terms energy: -76.023246
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -17.640
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -17.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -186.962871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.962871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.962871 (E_RNA)
where:
Base-Base interactions energy: -114.025
where: short stacking energy: -56.639
Base-Backbone interact. energy: -0.031
local terms energy: -72.906816
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -12.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -102.762278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.762278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.762278 (E_RNA)
where:
Base-Base interactions energy: -43.929
where: short stacking energy: -43.802
Base-Backbone interact. energy: -0.029
local terms energy: -58.804274
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -9.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -105.611395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.611395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.611395 (E_RNA)
where:
Base-Base interactions energy: -40.220
where: short stacking energy: -35.410
Base-Backbone interact. energy: -0.185
local terms energy: -65.206682
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -4.598
tors. eta vs tors. theta energy: -10.231
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: 6
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -107.705648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.705648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.705648 (E_RNA)
where:
Base-Base interactions energy: -57.516
where: short stacking energy: -24.912
Base-Backbone interact. energy: -0.724
local terms energy: -49.465357
where:
bonds (distance) C4'-P energy: -8.811
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -4.617
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: 9, replica: 9
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -89.683653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.683653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.683653 (E_RNA)
where:
Base-Base interactions energy: -36.727
where: short stacking energy: -36.727
Base-Backbone interact. energy: -0.409
local terms energy: -52.547141
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -0.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -85.342317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.342317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.342317 (E_RNA)
where:
Base-Base interactions energy: -34.924
where: short stacking energy: -29.531
Base-Backbone interact. energy: -0.075
local terms energy: -50.343460
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -10.900
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: 1.755
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: 1, replica: 4
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -226.723941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.723941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.723941 (E_RNA)
where:
Base-Base interactions energy: -139.585
where: short stacking energy: -74.932
Base-Backbone interact. energy: -0.253
local terms energy: -86.886346
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -15.485
tors. eta vs tors. theta energy: -22.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -237.909190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.909190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.909190 (E_RNA)
where:
Base-Base interactions energy: -162.712
where: short stacking energy: -57.799
Base-Backbone interact. energy: -0.698
local terms energy: -74.499016
where:
bonds (distance) C4'-P energy: -11.347
bonds (distance) P-C4' energy: -18.551
flat angles C4'-P-C4' energy: -19.282
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -11.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -234.354627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.354627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.354627 (E_RNA)
where:
Base-Base interactions energy: -158.718
where: short stacking energy: -62.579
Base-Backbone interact. energy: -0.300
local terms energy: -75.336532
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -13.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -201.378729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.378729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.378729 (E_RNA)
where:
Base-Base interactions energy: -126.323
where: short stacking energy: -61.570
Base-Backbone interact. energy: -0.128
local terms energy: -74.928671
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -20.930
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: 10
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -179.864847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.864847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.864847 (E_RNA)
where:
Base-Base interactions energy: -108.586
where: short stacking energy: -43.802
Base-Backbone interact. energy: -0.184
local terms energy: -71.095505
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -12.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -113.943743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.943743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.943743 (E_RNA)
where:
Base-Base interactions energy: -53.188
where: short stacking energy: -35.367
Base-Backbone interact. energy: -0.200
local terms energy: -60.555722
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -10.391
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: -6.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -96.572058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.572058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.572058 (E_RNA)
where:
Base-Base interactions energy: -39.660
where: short stacking energy: -35.718
Base-Backbone interact. energy: -0.063
local terms energy: -56.849140
where:
bonds (distance) C4'-P energy: -17.242
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -4.707
tors. eta vs tors. theta energy: -4.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -82.920578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.920578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.920578 (E_RNA)
where:
Base-Base interactions energy: -32.639
where: short stacking energy: -23.325
Base-Backbone interact. energy: -0.284
local terms energy: -49.997433
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -10.686
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: 0.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -99.945185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.945185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.945185 (E_RNA)
where:
Base-Base interactions energy: -37.411
where: short stacking energy: -36.395
Base-Backbone interact. energy: 0.849
local terms energy: -63.382666
where:
bonds (distance) C4'-P energy: -16.365
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -12.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -89.952823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.952823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.952823 (E_RNA)
where:
Base-Base interactions energy: -41.217
where: short stacking energy: -29.314
Base-Backbone interact. energy: -0.519
local terms energy: -48.217150
where:
bonds (distance) C4'-P energy: -18.211
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -8.233
flat angles P-C4'-P energy: -4.831
tors. eta vs tors. theta energy: -2.827
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: 4
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -233.985395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.985395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.985395 (E_RNA)
where:
Base-Base interactions energy: -149.424
where: short stacking energy: -82.309
Base-Backbone interact. energy: -0.023
local terms energy: -84.538778
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -23.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -242.102833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.102833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.102833 (E_RNA)
where:
Base-Base interactions energy: -160.417
where: short stacking energy: -65.997
Base-Backbone interact. energy: -1.225
local terms energy: -80.460942
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -19.698
flat angles P-C4'-P energy: -14.652
tors. eta vs tors. theta energy: -14.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -223.173075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.173075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.173075 (E_RNA)
where:
Base-Base interactions energy: -148.810
where: short stacking energy: -53.159
Base-Backbone interact. energy: -0.648
local terms energy: -73.715411
where:
bonds (distance) C4'-P energy: -17.225
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -8.838
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: 4, replica: 10
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -198.074154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.074154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.074154 (E_RNA)
where:
Base-Base interactions energy: -127.937
where: short stacking energy: -51.251
Base-Backbone interact. energy: -0.181
local terms energy: -69.956746
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: -10.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -192.425347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.425347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.425347 (E_RNA)
where:
Base-Base interactions energy: -130.603
where: short stacking energy: -61.184
Base-Backbone interact. energy: -0.876
local terms energy: -60.946138
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -12.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -106.369948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.369948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.369948 (E_RNA)
where:
Base-Base interactions energy: -50.562
where: short stacking energy: -31.933
Base-Backbone interact. energy: 0.306
local terms energy: -56.113783
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -7.241
tors. eta vs tors. theta energy: -5.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -116.222006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.222006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.222006 (E_RNA)
where:
Base-Base interactions energy: -59.498
where: short stacking energy: -46.351
Base-Backbone interact. energy: 0.413
local terms energy: -57.136817
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -10.267
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -10.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -92.871050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.871050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.871050 (E_RNA)
where:
Base-Base interactions energy: -46.423
where: short stacking energy: -33.597
Base-Backbone interact. energy: -0.066
local terms energy: -46.382048
where:
bonds (distance) C4'-P energy: -9.695
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -10.451
flat angles P-C4'-P energy: -4.175
tors. eta vs tors. theta energy: -5.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -86.776899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.776899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.776899 (E_RNA)
where:
Base-Base interactions energy: -39.316
where: short stacking energy: -38.163
Base-Backbone interact. energy: -0.122
local terms energy: -47.338845
where:
bonds (distance) C4'-P energy: -10.599
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -8.013
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -3.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -102.169305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.169305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.169305 (E_RNA)
where:
Base-Base interactions energy: -49.057
where: short stacking energy: -34.435
Base-Backbone interact. energy: 0.448
local terms energy: -53.560527
where:
bonds (distance) C4'-P energy: -9.953
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -8.185
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: 3
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -242.572180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.572180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.572180 (E_RNA)
where:
Base-Base interactions energy: -168.081
where: short stacking energy: -75.994
Base-Backbone interact. energy: 0.304
local terms energy: -74.795020
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -14.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -223.543248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.543248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.543248 (E_RNA)
where:
Base-Base interactions energy: -141.941
where: short stacking energy: -77.798
Base-Backbone interact. energy: -0.674
local terms energy: -80.928783
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -20.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -236.266305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.266305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.266305 (E_RNA)
where:
Base-Base interactions energy: -166.551
where: short stacking energy: -63.053
Base-Backbone interact. energy: -0.616
local terms energy: -69.099448
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -15.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -194.479045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.479045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.479045 (E_RNA)
where:
Base-Base interactions energy: -122.723
where: short stacking energy: -50.803
Base-Backbone interact. energy: 0.095
local terms energy: -71.851539
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -11.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -194.529123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.529123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.529123 (E_RNA)
where:
Base-Base interactions energy: -121.642
where: short stacking energy: -63.900
Base-Backbone interact. energy: -0.605
local terms energy: -72.281956
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -13.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -97.707274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.707274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.707274 (E_RNA)
where:
Base-Base interactions energy: -35.484
where: short stacking energy: -27.279
Base-Backbone interact. energy: -0.189
local terms energy: -62.034400
where:
bonds (distance) C4'-P energy: -18.159
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -10.820
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: 7, replica: 7
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -103.137440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.137440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.137440 (E_RNA)
where:
Base-Base interactions energy: -40.284
where: short stacking energy: -40.284
Base-Backbone interact. energy: -0.042
local terms energy: -62.810529
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -16.699
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -8.754
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: 6
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -106.557054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.557054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.557054 (E_RNA)
where:
Base-Base interactions energy: -47.219
where: short stacking energy: -29.036
Base-Backbone interact. energy: -0.181
local terms energy: -59.157400
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -7.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -99.493200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.493200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.493200 (E_RNA)
where:
Base-Base interactions energy: -52.282
where: short stacking energy: -35.753
Base-Backbone interact. energy: -0.642
local terms energy: -46.568795
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -4.833
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -5.912
tors. eta vs tors. theta energy: -3.155
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: 10, replica: 1
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -77.965176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.965176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.965176 (E_RNA)
where:
Base-Base interactions energy: -28.287
where: short stacking energy: -27.927
Base-Backbone interact. energy: -0.101
local terms energy: -49.576954
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -1.109
tors. eta vs tors. theta energy: -6.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -241.430883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.430883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.430883 (E_RNA)
where:
Base-Base interactions energy: -167.426
where: short stacking energy: -74.566
Base-Backbone interact. energy: 0.607
local terms energy: -74.611314
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -13.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -235.683898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.683898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.683898 (E_RNA)
where:
Base-Base interactions energy: -157.388
where: short stacking energy: -63.562
Base-Backbone interact. energy: -1.438
local terms energy: -76.858503
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -15.013
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: 4
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -216.837885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.837885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.837885 (E_RNA)
where:
Base-Base interactions energy: -129.817
where: short stacking energy: -72.434
Base-Backbone interact. energy: -0.535
local terms energy: -86.485462
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -19.081
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -24.419
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: 8
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -199.827522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.827522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.827522 (E_RNA)
where:
Base-Base interactions energy: -126.800
where: short stacking energy: -64.425
Base-Backbone interact. energy: -0.071
local terms energy: -72.955641
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -12.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -179.811019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.811019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.811019 (E_RNA)
where:
Base-Base interactions energy: -104.037
where: short stacking energy: -51.986
Base-Backbone interact. energy: -0.148
local terms energy: -75.625435
where:
bonds (distance) C4'-P energy: -18.422
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -10.640
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: 6, replica: 7
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -109.013802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.013802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.013802 (E_RNA)
where:
Base-Base interactions energy: -46.716
where: short stacking energy: -42.871
Base-Backbone interact. energy: -0.146
local terms energy: -62.151972
where:
bonds (distance) C4'-P energy: -10.313
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -18.946
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -7.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -104.494699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.494699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.494699 (E_RNA)
where:
Base-Base interactions energy: -51.387
where: short stacking energy: -29.952
Base-Backbone interact. energy: -0.666
local terms energy: -52.441567
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -3.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -108.343449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.343449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.343449 (E_RNA)
where:
Base-Base interactions energy: -55.266
where: short stacking energy: -42.092
Base-Backbone interact. energy: -0.025
local terms energy: -53.052477
where:
bonds (distance) C4'-P energy: -7.597
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -8.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -90.002496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.002496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.002496 (E_RNA)
where:
Base-Base interactions energy: -44.860
where: short stacking energy: -26.740
Base-Backbone interact. energy: -0.244
local terms energy: -44.898462
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -4.120
tors. eta vs tors. theta energy: 2.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -88.355524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.355524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.355524 (E_RNA)
where:
Base-Base interactions energy: -39.770
where: short stacking energy: -28.799
Base-Backbone interact. energy: -0.534
local terms energy: -48.051594
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -10.721
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -3.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -246.955789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.955789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.955789 (E_RNA)
where:
Base-Base interactions energy: -168.875
where: short stacking energy: -70.308
Base-Backbone interact. energy: 1.034
local terms energy: -79.113969
where:
bonds (distance) C4'-P energy: -17.668
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -16.269
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: 3
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -240.695625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.695625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.695625 (E_RNA)
where:
Base-Base interactions energy: -170.468
where: short stacking energy: -70.588
Base-Backbone interact. energy: -0.260
local terms energy: -69.967627
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -11.187
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: 3, replica: 8
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -196.863009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.863009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.863009 (E_RNA)
where:
Base-Base interactions energy: -130.423
where: short stacking energy: -68.213
Base-Backbone interact. energy: -0.098
local terms energy: -66.341853
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -4.191
tors. eta vs tors. theta energy: -17.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -215.000151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.000151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.000151 (E_RNA)
where:
Base-Base interactions energy: -135.966
where: short stacking energy: -70.563
Base-Backbone interact. energy: -0.074
local terms energy: -78.960611
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -17.648
flat angles C4'-P-C4' energy: -18.218
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -15.974
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: 384
Temperature: 1.100000
Total energy: -156.332757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.332757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.332757 (E_RNA)
where:
Base-Base interactions energy: -87.234
where: short stacking energy: -49.612
Base-Backbone interact. energy: -0.082
local terms energy: -69.017286
where:
bonds (distance) C4'-P energy: -18.229
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -11.225
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: 6, replica: 7
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -119.952014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.952014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.952014 (E_RNA)
where:
Base-Base interactions energy: -54.803
where: short stacking energy: -33.546
Base-Backbone interact. energy: -0.106
local terms energy: -65.043434
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: -2.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -137.179902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.179902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.179902 (E_RNA)
where:
Base-Base interactions energy: -64.264
where: short stacking energy: -54.727
Base-Backbone interact. energy: -0.111
local terms energy: -72.804331
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -9.725
flat angles P-C4'-P energy: -14.036
tors. eta vs tors. theta energy: -17.655
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: 9
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -96.144834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.144834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.144834 (E_RNA)
where:
Base-Base interactions energy: -36.312
where: short stacking energy: -29.729
Base-Backbone interact. energy: -0.173
local terms energy: -59.659142
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -10.294
flat angles P-C4'-P energy: -10.634
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: 9, replica: 1
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -84.552187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.552187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.552187 (E_RNA)
where:
Base-Base interactions energy: -29.559
where: short stacking energy: -28.089
Base-Backbone interact. energy: -0.941
local terms energy: -54.052149
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -6.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -75.037659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.037659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.037659 (E_RNA)
where:
Base-Base interactions energy: -30.370
where: short stacking energy: -19.170
Base-Backbone interact. energy: -0.610
local terms energy: -44.058339
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: 2.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -248.749948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.749948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.749948 (E_RNA)
where:
Base-Base interactions energy: -164.900
where: short stacking energy: -70.222
Base-Backbone interact. energy: -0.440
local terms energy: -83.409762
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -14.284
tors. eta vs tors. theta energy: -16.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -246.722144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.722144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.722144 (E_RNA)
where:
Base-Base interactions energy: -167.429
where: short stacking energy: -75.892
Base-Backbone interact. energy: -0.762
local terms energy: -78.531223
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -18.176
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -16.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -215.908983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.908983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.908983 (E_RNA)
where:
Base-Base interactions energy: -129.681
where: short stacking energy: -71.617
Base-Backbone interact. energy: -0.712
local terms energy: -85.515093
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -23.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -201.924422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.924422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.924422 (E_RNA)
where:
Base-Base interactions energy: -125.032
where: short stacking energy: -65.870
Base-Backbone interact. energy: 1.166
local terms energy: -78.058335
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -18.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -164.841223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.841223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.841223 (E_RNA)
where:
Base-Base interactions energy: -96.064
where: short stacking energy: -48.699
Base-Backbone interact. energy: -0.579
local terms energy: -68.198774
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -7.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -106.610453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.610453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.610453 (E_RNA)
where:
Base-Base interactions energy: -50.111
where: short stacking energy: -41.977
Base-Backbone interact. energy: -0.084
local terms energy: -56.415158
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -18.920
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -1.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -104.633785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.633785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.633785 (E_RNA)
where:
Base-Base interactions energy: -39.507
where: short stacking energy: -29.420
Base-Backbone interact. energy: -0.021
local terms energy: -65.105709
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -19.065
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -5.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -94.134192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.134192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.134192 (E_RNA)
where:
Base-Base interactions energy: -39.594
where: short stacking energy: -39.594
Base-Backbone interact. energy: -0.088
local terms energy: -54.452770
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -13.354
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -3.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -89.614534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.614534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.614534 (E_RNA)
where:
Base-Base interactions energy: -30.769
where: short stacking energy: -30.606
Base-Backbone interact. energy: 0.827
local terms energy: -59.672186
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: -2.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -79.437578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.437578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.437578 (E_RNA)
where:
Base-Base interactions energy: -22.238
where: short stacking energy: -19.167
Base-Backbone interact. energy: -0.273
local terms energy: -56.926282
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -0.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -240.478873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.478873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.478873 (E_RNA)
where:
Base-Base interactions energy: -164.514
where: short stacking energy: -75.489
Base-Backbone interact. energy: -0.378
local terms energy: -75.586821
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -17.038
flat angles C4'-P-C4' energy: -19.541
flat angles P-C4'-P energy: -13.442
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: 5
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -241.134891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.134891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.134891 (E_RNA)
where:
Base-Base interactions energy: -168.701
where: short stacking energy: -71.331
Base-Backbone interact. energy: -0.366
local terms energy: -72.068707
where:
bonds (distance) C4'-P energy: -16.859
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -15.422
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: 3, replica: 8
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -218.434104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.434104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.434104 (E_RNA)
where:
Base-Base interactions energy: -137.847
where: short stacking energy: -75.452
Base-Backbone interact. energy: -1.249
local terms energy: -79.338420
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -18.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -187.542791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.542791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.542791 (E_RNA)
where:
Base-Base interactions energy: -107.822
where: short stacking energy: -61.647
Base-Backbone interact. energy: -0.030
local terms energy: -79.689962
where:
bonds (distance) C4'-P energy: -17.388
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -18.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -105.496512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.496512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.496512 (E_RNA)
where:
Base-Base interactions energy: -44.226
where: short stacking energy: -37.290
Base-Backbone interact. energy: 0.373
local terms energy: -61.643844
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -7.782
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -11.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -171.378894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.378894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.378894 (E_RNA)
where:
Base-Base interactions energy: -102.087
where: short stacking energy: -48.031
Base-Backbone interact. energy: -0.191
local terms energy: -69.101101
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -9.513
flat angles P-C4'-P energy: -7.880
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: 7, replica: 1
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -129.751039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.751039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.751039 (E_RNA)
where:
Base-Base interactions energy: -61.532
where: short stacking energy: -42.798
Base-Backbone interact. energy: -0.332
local terms energy: -67.886940
where:
bonds (distance) C4'-P energy: -17.991
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -8.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -96.208328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.208328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.208328 (E_RNA)
where:
Base-Base interactions energy: -44.679
where: short stacking energy: -23.851
Base-Backbone interact. energy: -0.286
local terms energy: -51.243011
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: 2.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -80.565783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.565783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.565783 (E_RNA)
where:
Base-Base interactions energy: -34.045
where: short stacking energy: -28.433
Base-Backbone interact. energy: 0.691
local terms energy: -47.212039
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -10.387
flat angles P-C4'-P energy: -7.014
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: 10, replica: 9
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -79.893578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.893578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.893578 (E_RNA)
where:
Base-Base interactions energy: -36.603
where: short stacking energy: -26.833
Base-Backbone interact. energy: -0.116
local terms energy: -43.174002
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -11.678
flat angles P-C4'-P energy: -4.944
tors. eta vs tors. theta energy: -0.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -242.949139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.949139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.949139 (E_RNA)
where:
Base-Base interactions energy: -162.914
where: short stacking energy: -71.166
Base-Backbone interact. energy: -0.577
local terms energy: -79.457696
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -17.532
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: 5
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -237.175423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.175423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.175423 (E_RNA)
where:
Base-Base interactions energy: -162.662
where: short stacking energy: -65.965
Base-Backbone interact. energy: -0.642
local terms energy: -73.871802
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -17.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -220.978246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.978246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.978246 (E_RNA)
where:
Base-Base interactions energy: -135.183
where: short stacking energy: -65.626
Base-Backbone interact. energy: -0.367
local terms energy: -85.429071
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -22.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -183.175941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.175941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.175941 (E_RNA)
where:
Base-Base interactions energy: -109.883
where: short stacking energy: -68.817
Base-Backbone interact. energy: -0.157
local terms energy: -73.135315
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -16.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -116.136305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.136305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.136305 (E_RNA)
where:
Base-Base interactions energy: -56.075
where: short stacking energy: -56.075
Base-Backbone interact. energy: -0.071
local terms energy: -59.990792
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -11.289
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -3.182
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: 6, replica: 10
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -186.606076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.606076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.606076 (E_RNA)
where:
Base-Base interactions energy: -126.376
where: short stacking energy: -69.318
Base-Backbone interact. energy: -0.065
local terms energy: -60.164940
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -11.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -98.684459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.684459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.684459 (E_RNA)
where:
Base-Base interactions energy: -39.041
where: short stacking energy: -39.041
Base-Backbone interact. energy: -0.046
local terms energy: -59.597232
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -2.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -95.920885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.920885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.920885 (E_RNA)
where:
Base-Base interactions energy: -39.296
where: short stacking energy: -36.034
Base-Backbone interact. energy: -0.171
local terms energy: -56.454048
where:
bonds (distance) C4'-P energy: -8.371
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -6.133
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: 387
Temperature: 1.300000
Total energy: -87.246582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.246582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.246582 (E_RNA)
where:
Base-Base interactions energy: -39.768
where: short stacking energy: -28.561
Base-Backbone interact. energy: -0.271
local terms energy: -47.207350
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -11.093
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -1.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -104.906757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.906757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.906757 (E_RNA)
where:
Base-Base interactions energy: -57.642
where: short stacking energy: -29.748
Base-Backbone interact. energy: -0.103
local terms energy: -47.162321
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -18.075
flat angles C4'-P-C4' energy: -7.300
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -2.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -250.086666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.086666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.086666 (E_RNA)
where:
Base-Base interactions energy: -174.701
where: short stacking energy: -66.774
Base-Backbone interact. energy: -0.542
local terms energy: -74.843399
where:
bonds (distance) C4'-P energy: -15.508
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -15.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -234.461751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.461751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.461751 (E_RNA)
where:
Base-Base interactions energy: -154.136
where: short stacking energy: -65.719
Base-Backbone interact. energy: -0.883
local terms energy: -79.443001
where:
bonds (distance) C4'-P energy: -17.574
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -14.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -223.031687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.031687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.031687 (E_RNA)
where:
Base-Base interactions energy: -136.181
where: short stacking energy: -77.644
Base-Backbone interact. energy: -0.003
local terms energy: -86.847621
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -15.181
tors. eta vs tors. theta energy: -26.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -200.645237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.645237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.645237 (E_RNA)
where:
Base-Base interactions energy: -117.319
where: short stacking energy: -64.579
Base-Backbone interact. energy: -0.002
local terms energy: -83.324741
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -18.179
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -19.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -186.150248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.150248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.150248 (E_RNA)
where:
Base-Base interactions energy: -113.764
where: short stacking energy: -65.797
Base-Backbone interact. energy: 0.126
local terms energy: -72.512840
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -9.993
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -18.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -97.304052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.304052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.304052 (E_RNA)
where:
Base-Base interactions energy: -41.805
where: short stacking energy: -32.085
Base-Backbone interact. energy: 0.155
local terms energy: -55.653957
where:
bonds (distance) C4'-P energy: -13.401
bonds (distance) P-C4' energy: -18.511
flat angles C4'-P-C4' energy: -9.617
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -4.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -99.916723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.916723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.916723 (E_RNA)
where:
Base-Base interactions energy: -38.222
where: short stacking energy: -22.994
Base-Backbone interact. energy: 0.265
local terms energy: -61.959634
where:
bonds (distance) C4'-P energy: -18.224
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -2.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -98.978726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.978726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.978726 (E_RNA)
where:
Base-Base interactions energy: -34.445
where: short stacking energy: -34.445
Base-Backbone interact. energy: -0.541
local terms energy: -63.992201
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -13.516
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: 9, replica: 9
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -80.162930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.162930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.162930 (E_RNA)
where:
Base-Base interactions energy: -42.780
where: short stacking energy: -20.094
Base-Backbone interact. energy: 0.743
local terms energy: -38.125887
where:
bonds (distance) C4'-P energy: -7.691
bonds (distance) P-C4' energy: -10.901
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -2.946
tors. eta vs tors. theta energy: -2.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -103.095423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.095423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.095423 (E_RNA)
where:
Base-Base interactions energy: -45.768
where: short stacking energy: -37.141
Base-Backbone interact. energy: 1.444
local terms energy: -58.771708
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -9.059
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -6.174
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: 5
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -233.300517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.300517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.300517 (E_RNA)
where:
Base-Base interactions energy: -163.251
where: short stacking energy: -66.071
Base-Backbone interact. energy: -0.207
local terms energy: -69.842271
where:
bonds (distance) C4'-P energy: -16.448
bonds (distance) P-C4' energy: -10.903
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -14.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -226.073063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.073063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.073063 (E_RNA)
where:
Base-Base interactions energy: -135.844
where: short stacking energy: -70.437
Base-Backbone interact. energy: -0.941
local terms energy: -89.288497
where:
bonds (distance) C4'-P energy: -16.538
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -20.097
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -24.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -216.773643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.773643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.773643 (E_RNA)
where:
Base-Base interactions energy: -152.385
where: short stacking energy: -72.444
Base-Backbone interact. energy: -0.216
local terms energy: -64.172404
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -10.585
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -14.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -200.353562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.353562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.353562 (E_RNA)
where:
Base-Base interactions energy: -127.860
where: short stacking energy: -65.207
Base-Backbone interact. energy: -0.618
local terms energy: -71.875028
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -18.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -186.788619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.788619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.788619 (E_RNA)
where:
Base-Base interactions energy: -115.262
where: short stacking energy: -63.331
Base-Backbone interact. energy: -0.003
local terms energy: -71.524067
where:
bonds (distance) C4'-P energy: -9.050
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -18.530
flat angles P-C4'-P energy: -8.300
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: 6, replica: 6
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -110.100313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.100313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.100313 (E_RNA)
where:
Base-Base interactions energy: -54.918
where: short stacking energy: -35.893
Base-Backbone interact. energy: -0.579
local terms energy: -54.603458
where:
bonds (distance) C4'-P energy: -12.444
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: -7.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -91.493258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.493258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.493258 (E_RNA)
where:
Base-Base interactions energy: -42.516
where: short stacking energy: -26.518
Base-Backbone interact. energy: -0.293
local terms energy: -48.683839
where:
bonds (distance) C4'-P energy: -7.691
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -10.068
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: 8, replica: 1
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -107.812535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.812535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.812535 (E_RNA)
where:
Base-Base interactions energy: -47.863
where: short stacking energy: -33.279
Base-Backbone interact. energy: 0.091
local terms energy: -60.040940
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -12.064
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -6.336
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: 9
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -151.738694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.738694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.738694 (E_RNA)
where:
Base-Base interactions energy: -90.265
where: short stacking energy: -46.331
Base-Backbone interact. energy: -0.023
local terms energy: -61.450680
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -15.520
flat angles C4'-P-C4' energy: -9.447
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -9.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -83.345926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.345926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.345926 (E_RNA)
where:
Base-Base interactions energy: -28.616
where: short stacking energy: -26.458
Base-Backbone interact. energy: 0.453
local terms energy: -55.182434
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -11.254
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -9.795
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: 1, replica: 5
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -243.501961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.501961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.501961 (E_RNA)
where:
Base-Base interactions energy: -179.100
where: short stacking energy: -64.021
Base-Backbone interact. energy: -0.220
local terms energy: -64.182085
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: -13.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -226.187809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.187809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.187809 (E_RNA)
where:
Base-Base interactions energy: -140.791
where: short stacking energy: -76.549
Base-Backbone interact. energy: -0.023
local terms energy: -85.374633
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -24.647
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: 3
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -227.906114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.906114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.906114 (E_RNA)
where:
Base-Base interactions energy: -155.814
where: short stacking energy: -53.373
Base-Backbone interact. energy: -1.242
local terms energy: -70.850617
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -14.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -202.866260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.866260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.866260 (E_RNA)
where:
Base-Base interactions energy: -123.766
where: short stacking energy: -71.256
Base-Backbone interact. energy: -0.008
local terms energy: -79.092388
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -22.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -193.015935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.015935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.015935 (E_RNA)
where:
Base-Base interactions energy: -122.602
where: short stacking energy: -58.169
Base-Backbone interact. energy: -0.227
local terms energy: -70.186443
where:
bonds (distance) C4'-P energy: -15.699
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -9.588
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: 6, replica: 6
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -111.074365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.074365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.074365 (E_RNA)
where:
Base-Base interactions energy: -42.175
where: short stacking energy: -39.642
Base-Backbone interact. energy: -0.046
local terms energy: -68.853136
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -18.150
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -8.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -97.988428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.988428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.988428 (E_RNA)
where:
Base-Base interactions energy: -36.473
where: short stacking energy: -36.473
Base-Backbone interact. energy: -0.364
local terms energy: -61.151426
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -15.397
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -8.668
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: 1
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -90.547402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.547402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.547402 (E_RNA)
where:
Base-Base interactions energy: -33.464
where: short stacking energy: -25.463
Base-Backbone interact. energy: -0.185
local terms energy: -56.898035
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: 2.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -124.512303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.512303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.512303 (E_RNA)
where:
Base-Base interactions energy: -66.732
where: short stacking energy: -34.797
Base-Backbone interact. energy: -0.476
local terms energy: -57.303997
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -6.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -96.894518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.894518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.894518 (E_RNA)
where:
Base-Base interactions energy: -35.608
where: short stacking energy: -35.288
Base-Backbone interact. energy: -0.049
local terms energy: -61.238007
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -12.213
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: 1, replica: 5
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -240.680577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.680577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.680577 (E_RNA)
where:
Base-Base interactions energy: -166.032
where: short stacking energy: -65.572
Base-Backbone interact. energy: -0.277
local terms energy: -74.371595
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -14.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -231.801208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.801208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.801208 (E_RNA)
where:
Base-Base interactions energy: -157.690
where: short stacking energy: -55.899
Base-Backbone interact. energy: -0.988
local terms energy: -73.123260
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -18.794
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -6.544
tors. eta vs tors. theta energy: -15.479
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: 8
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -211.542705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.542705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.542705 (E_RNA)
where:
Base-Base interactions energy: -130.929
where: short stacking energy: -71.733
Base-Backbone interact. energy: -0.003
local terms energy: -80.610784
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -19.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -190.289181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.289181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.289181 (E_RNA)
where:
Base-Base interactions energy: -123.813
where: short stacking energy: -51.604
Base-Backbone interact. energy: 0.514
local terms energy: -66.990278
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -14.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -205.884303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.884303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.884303 (E_RNA)
where:
Base-Base interactions energy: -128.246
where: short stacking energy: -66.306
Base-Backbone interact. energy: -0.157
local terms energy: -77.481206
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -14.555
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: 6, replica: 6
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -110.706316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.706316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.706316 (E_RNA)
where:
Base-Base interactions energy: -60.225
where: short stacking energy: -24.986
Base-Backbone interact. energy: -0.547
local terms energy: -49.934143
where:
bonds (distance) C4'-P energy: -18.890
bonds (distance) P-C4' energy: -8.635
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -2.060
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: 2
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -93.868107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.868107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.868107 (E_RNA)
where:
Base-Base interactions energy: -37.937
where: short stacking energy: -34.388
Base-Backbone interact. energy: -0.340
local terms energy: -55.591680
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -8.814
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -6.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -93.239139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.239139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.239139 (E_RNA)
where:
Base-Base interactions energy: -45.465
where: short stacking energy: -23.044
Base-Backbone interact. energy: -0.242
local terms energy: -47.531752
where:
bonds (distance) C4'-P energy: -12.353
bonds (distance) P-C4' energy: -18.262
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -1.108
tors. eta vs tors. theta energy: -0.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -104.778270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.778270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.778270 (E_RNA)
where:
Base-Base interactions energy: -44.686
where: short stacking energy: -42.573
Base-Backbone interact. energy: -0.089
local terms energy: -60.002792
where:
bonds (distance) C4'-P energy: -10.735
bonds (distance) P-C4' energy: -9.507
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -11.970
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: 10, replica: 7
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -82.932661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.932661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.932661 (E_RNA)
where:
Base-Base interactions energy: -32.980
where: short stacking energy: -32.980
Base-Backbone interact. energy: -0.209
local terms energy: -49.743843
where:
bonds (distance) C4'-P energy: -10.796
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -5.106
tors. eta vs tors. theta energy: -2.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -240.109311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.109311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.109311 (E_RNA)
where:
Base-Base interactions energy: -167.830
where: short stacking energy: -69.828
Base-Backbone interact. energy: -0.566
local terms energy: -71.713830
where:
bonds (distance) C4'-P energy: -10.391
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -17.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -227.352688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.352688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.352688 (E_RNA)
where:
Base-Base interactions energy: -155.470
where: short stacking energy: -63.428
Base-Backbone interact. energy: 0.002
local terms energy: -71.883737
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -14.628
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: 10
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -207.889858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.889858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.889858 (E_RNA)
where:
Base-Base interactions energy: -129.105
where: short stacking energy: -64.979
Base-Backbone interact. energy: -0.206
local terms energy: -78.578374
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -14.264
tors. eta vs tors. theta energy: -17.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -209.908775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.908775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.908775 (E_RNA)
where:
Base-Base interactions energy: -133.972
where: short stacking energy: -73.814
Base-Backbone interact. energy: -0.117
local terms energy: -75.819523
where:
bonds (distance) C4'-P energy: -17.852
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -19.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -203.690887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.690887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.690887 (E_RNA)
where:
Base-Base interactions energy: -124.034
where: short stacking energy: -65.655
Base-Backbone interact. energy: -0.504
local terms energy: -79.152365
where:
bonds (distance) C4'-P energy: -14.328
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -18.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -117.280266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.280266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.280266 (E_RNA)
where:
Base-Base interactions energy: -56.436
where: short stacking energy: -33.419
Base-Backbone interact. energy: -0.682
local terms energy: -60.162251
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -9.858
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: 7, replica: 9
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -101.027889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.027889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.027889 (E_RNA)
where:
Base-Base interactions energy: -41.209
where: short stacking energy: -26.288
Base-Backbone interact. energy: 1.537
local terms energy: -61.355255
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -5.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -90.154105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.154105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.154105 (E_RNA)
where:
Base-Base interactions energy: -35.496
where: short stacking energy: -35.473
Base-Backbone interact. energy: -0.410
local terms energy: -54.248381
where:
bonds (distance) C4'-P energy: -8.227
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -6.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -96.467265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.467265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.467265 (E_RNA)
where:
Base-Base interactions energy: -33.378
where: short stacking energy: -24.173
Base-Backbone interact. energy: -0.284
local terms energy: -62.805190
where:
bonds (distance) C4'-P energy: -16.564
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -3.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -78.840962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.840962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.840962 (E_RNA)
where:
Base-Base interactions energy: -31.309
where: short stacking energy: -26.243
Base-Backbone interact. energy: 1.290
local terms energy: -48.821946
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -6.045
tors. eta vs tors. theta energy: 0.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -238.965862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.965862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.965862 (E_RNA)
where:
Base-Base interactions energy: -160.832
where: short stacking energy: -71.208
Base-Backbone interact. energy: 0.878
local terms energy: -79.011162
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -11.803
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: 10
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -207.376836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.376836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.376836 (E_RNA)
where:
Base-Base interactions energy: -126.990
where: short stacking energy: -58.555
Base-Backbone interact. energy: -1.011
local terms energy: -79.376481
where:
bonds (distance) C4'-P energy: -19.296
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: -14.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -231.907710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.907710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.907710 (E_RNA)
where:
Base-Base interactions energy: -156.422
where: short stacking energy: -62.026
Base-Backbone interact. energy: -1.088
local terms energy: -74.397473
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -12.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -213.205844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.205844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.205844 (E_RNA)
where:
Base-Base interactions energy: -128.959
where: short stacking energy: -68.481
Base-Backbone interact. energy: -0.721
local terms energy: -83.525310
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -20.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -182.006793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.006793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.006793 (E_RNA)
where:
Base-Base interactions energy: -115.433
where: short stacking energy: -54.315
Base-Backbone interact. energy: -0.010
local terms energy: -66.563872
where:
bonds (distance) C4'-P energy: -16.312
bonds (distance) P-C4' energy: -14.478
flat angles C4'-P-C4' energy: -18.749
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -9.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -104.737277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.737277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.737277 (E_RNA)
where:
Base-Base interactions energy: -44.578
where: short stacking energy: -37.078
Base-Backbone interact. energy: 1.372
local terms energy: -61.530338
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -15.137
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -7.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -99.531329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.531329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.531329 (E_RNA)
where:
Base-Base interactions energy: -35.555
where: short stacking energy: -35.555
Base-Backbone interact. energy: -0.148
local terms energy: -63.828359
where:
bonds (distance) C4'-P energy: -18.748
bonds (distance) P-C4' energy: -19.750
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -5.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -92.475359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.475359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.475359 (E_RNA)
where:
Base-Base interactions energy: -37.995
where: short stacking energy: -36.903
Base-Backbone interact. energy: -0.099
local terms energy: -54.381550
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -1.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -82.091867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.091867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.091867 (E_RNA)
where:
Base-Base interactions energy: -30.418
where: short stacking energy: -26.259
Base-Backbone interact. energy: 1.061
local terms energy: -52.734788
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -3.756
tors. eta vs tors. theta energy: -4.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -82.125878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.125878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.125878 (E_RNA)
where:
Base-Base interactions energy: -28.536
where: short stacking energy: -23.835
Base-Backbone interact. energy: 0.878
local terms energy: -54.468426
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -5.267
tors. eta vs tors. theta energy: -3.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -244.577855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.577855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.577855 (E_RNA)
where:
Base-Base interactions energy: -181.764
where: short stacking energy: -66.204
Base-Backbone interact. energy: -1.464
local terms energy: -61.349663
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -8.624
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -13.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -202.895308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.895308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.895308 (E_RNA)
where:
Base-Base interactions energy: -128.011
where: short stacking energy: -55.569
Base-Backbone interact. energy: -1.160
local terms energy: -73.724588
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -14.813
tors. eta vs tors. theta energy: -11.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -236.383862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.383862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.383862 (E_RNA)
where:
Base-Base interactions energy: -159.164
where: short stacking energy: -64.526
Base-Backbone interact. energy: 0.742
local terms energy: -77.961772
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -15.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -223.254999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.254999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.254999 (E_RNA)
where:
Base-Base interactions energy: -135.297
where: short stacking energy: -76.603
Base-Backbone interact. energy: -0.166
local terms energy: -87.792348
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -24.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -189.290366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.290366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.290366 (E_RNA)
where:
Base-Base interactions energy: -122.654
where: short stacking energy: -60.819
Base-Backbone interact. energy: -1.270
local terms energy: -65.366869
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -15.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -99.065109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.065109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.065109 (E_RNA)
where:
Base-Base interactions energy: -48.045
where: short stacking energy: -31.405
Base-Backbone interact. energy: -0.528
local terms energy: -50.491504
where:
bonds (distance) C4'-P energy: -16.382
bonds (distance) P-C4' energy: -11.363
flat angles C4'-P-C4' energy: -10.462
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -2.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -100.243202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.243202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.243202 (E_RNA)
where:
Base-Base interactions energy: -43.902
where: short stacking energy: -32.840
Base-Backbone interact. energy: -0.133
local terms energy: -56.208896
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -11.365
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -7.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -98.586383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.586383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.586383 (E_RNA)
where:
Base-Base interactions energy: -42.310
where: short stacking energy: -41.931
Base-Backbone interact. energy: -0.071
local terms energy: -56.205363
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -12.804
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -6.951
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: 9, replica: 1
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -81.669034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.669034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.669034 (E_RNA)
where:
Base-Base interactions energy: -29.279
where: short stacking energy: -28.090
Base-Backbone interact. energy: -0.582
local terms energy: -51.807578
where:
bonds (distance) C4'-P energy: -12.093
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: 3.056
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: 2
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -77.100123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.100123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.100123 (E_RNA)
where:
Base-Base interactions energy: -32.558
where: short stacking energy: -27.625
Base-Backbone interact. energy: -1.350
local terms energy: -43.191956
where:
bonds (distance) C4'-P energy: -7.919
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -5.029
tors. eta vs tors. theta energy: -1.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -244.958473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.958473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.958473 (E_RNA)
where:
Base-Base interactions energy: -176.712
where: short stacking energy: -67.573
Base-Backbone interact. energy: -1.142
local terms energy: -67.104258
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -13.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -204.106000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.106000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.106000 (E_RNA)
where:
Base-Base interactions energy: -128.764
where: short stacking energy: -55.072
Base-Backbone interact. energy: -0.173
local terms energy: -75.168684
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -19.208
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -13.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -236.564696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.564696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.564696 (E_RNA)
where:
Base-Base interactions energy: -157.420
where: short stacking energy: -61.598
Base-Backbone interact. energy: -0.417
local terms energy: -78.727359
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -19.564
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -14.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -212.032491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.032491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.032491 (E_RNA)
where:
Base-Base interactions energy: -131.294
where: short stacking energy: -67.189
Base-Backbone interact. energy: -0.502
local terms energy: -80.236458
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -18.300
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -18.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -198.162994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.162994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.162994 (E_RNA)
where:
Base-Base interactions energy: -128.825
where: short stacking energy: -59.347
Base-Backbone interact. energy: -0.369
local terms energy: -68.969513
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -16.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -97.744360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.744360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.744360 (E_RNA)
where:
Base-Base interactions energy: -38.081
where: short stacking energy: -37.624
Base-Backbone interact. energy: 1.676
local terms energy: -61.339650
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: -7.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -103.614910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.614910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.614910 (E_RNA)
where:
Base-Base interactions energy: -47.415
where: short stacking energy: -41.010
Base-Backbone interact. energy: -0.408
local terms energy: -55.792244
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -10.490
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -3.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -92.337445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.337445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.337445 (E_RNA)
where:
Base-Base interactions energy: -41.491
where: short stacking energy: -39.479
Base-Backbone interact. energy: -0.174
local terms energy: -50.672778
where:
bonds (distance) C4'-P energy: -6.822
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -8.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -91.341285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.341285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.341285 (E_RNA)
where:
Base-Base interactions energy: -46.678
where: short stacking energy: -41.872
Base-Backbone interact. energy: -0.128
local terms energy: -44.535545
where:
bonds (distance) C4'-P energy: -10.535
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -6.737
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: 2
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -93.739321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.739321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.739321 (E_RNA)
where:
Base-Base interactions energy: -33.747
where: short stacking energy: -30.654
Base-Backbone interact. energy: -0.002
local terms energy: -59.991223
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -11.713
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: 1, replica: 5
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -249.866701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.866701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.866701 (E_RNA)
where:
Base-Base interactions energy: -180.615
where: short stacking energy: -65.409
Base-Backbone interact. energy: -0.545
local terms energy: -68.706474
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -15.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -209.412625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.412625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.412625 (E_RNA)
where:
Base-Base interactions energy: -133.055
where: short stacking energy: -66.561
Base-Backbone interact. energy: -0.035
local terms energy: -76.322382
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -17.328
flat angles C4'-P-C4' energy: -18.134
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -15.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -218.850590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.850590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.850590 (E_RNA)
where:
Base-Base interactions energy: -131.885
where: short stacking energy: -75.351
Base-Backbone interact. energy: -0.746
local terms energy: -86.219857
where:
bonds (distance) C4'-P energy: -17.380
bonds (distance) P-C4' energy: -18.201
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -22.076
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: 4, replica: 3
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -226.204167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.204167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.204167 (E_RNA)
where:
Base-Base interactions energy: -155.792
where: short stacking energy: -70.915
Base-Backbone interact. energy: -0.345
local terms energy: -70.067790
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -18.011
flat angles P-C4'-P energy: -9.322
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: 5, replica: 4
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -198.288269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.288269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.288269 (E_RNA)
where:
Base-Base interactions energy: -117.717
where: short stacking energy: -64.648
Base-Backbone interact. energy: -0.845
local terms energy: -79.725875
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -13.481
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: 6, replica: 7
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -108.517677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.517677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.517677 (E_RNA)
where:
Base-Base interactions energy: -47.822
where: short stacking energy: -47.822
Base-Backbone interact. energy: -0.118
local terms energy: -60.577658
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -10.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -110.504163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.504163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.504163 (E_RNA)
where:
Base-Base interactions energy: -48.360
where: short stacking energy: -31.869
Base-Backbone interact. energy: -1.023
local terms energy: -61.121350
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -8.437
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: 8, replica: 1
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -88.049774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.049774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.049774 (E_RNA)
where:
Base-Base interactions energy: -23.645
where: short stacking energy: -23.645
Base-Backbone interact. energy: -0.102
local terms energy: -64.302456
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -6.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -82.235239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.235239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.235239 (E_RNA)
where:
Base-Base interactions energy: -32.641
where: short stacking energy: -28.896
Base-Backbone interact. energy: -0.132
local terms energy: -49.462766
where:
bonds (distance) C4'-P energy: -10.850
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: 0.110
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: 9
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -77.326492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.326492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.326492 (E_RNA)
where:
Base-Base interactions energy: -24.999
where: short stacking energy: -17.793
Base-Backbone interact. energy: 0.636
local terms energy: -52.963374
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -19.289
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -4.450
tors. eta vs tors. theta energy: 1.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -249.510516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.510516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.510516 (E_RNA)
where:
Base-Base interactions energy: -186.243
where: short stacking energy: -72.685
Base-Backbone interact. energy: 0.428
local terms energy: -63.695950
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -10.434
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: 2, replica: 8
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -215.626733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.626733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.626733 (E_RNA)
where:
Base-Base interactions energy: -130.190
where: short stacking energy: -69.641
Base-Backbone interact. energy: -0.001
local terms energy: -85.435030
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -13.591
tors. eta vs tors. theta energy: -23.032
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: 10
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -194.337987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.337987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.337987 (E_RNA)
where:
Base-Base interactions energy: -115.160
where: short stacking energy: -56.210
Base-Backbone interact. energy: 1.708
local terms energy: -80.885100
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -13.231
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: 4, replica: 4
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -212.698483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.698483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.698483 (E_RNA)
where:
Base-Base interactions energy: -132.878
where: short stacking energy: -71.115
Base-Backbone interact. energy: -0.088
local terms energy: -79.732257
where:
bonds (distance) C4'-P energy: -17.614
bonds (distance) P-C4' energy: -10.673
flat angles C4'-P-C4' energy: -18.675
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -21.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -217.881289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.881289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.881289 (E_RNA)
where:
Base-Base interactions energy: -148.168
where: short stacking energy: -53.425
Base-Backbone interact. energy: -0.470
local terms energy: -69.243564
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -12.204
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: 6
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -103.934449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.934449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.934449 (E_RNA)
where:
Base-Base interactions energy: -43.257
where: short stacking energy: -42.846
Base-Backbone interact. energy: -0.133
local terms energy: -60.543986
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -18.746
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -4.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -97.828604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.828604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.828604 (E_RNA)
where:
Base-Base interactions energy: -33.155
where: short stacking energy: -32.845
Base-Backbone interact. energy: -0.120
local terms energy: -64.553745
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -10.752
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: 8, replica: 2
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -94.885796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.885796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.885796 (E_RNA)
where:
Base-Base interactions energy: -31.889
where: short stacking energy: -31.889
Base-Backbone interact. energy: -0.169
local terms energy: -62.828031
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -5.904
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: 9, replica: 1
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -101.017671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.017671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.017671 (E_RNA)
where:
Base-Base interactions energy: -43.986
where: short stacking energy: -42.042
Base-Backbone interact. energy: -1.313
local terms energy: -55.718757
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -87.087302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.087302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.087302 (E_RNA)
where:
Base-Base interactions energy: -32.903
where: short stacking energy: -18.949
Base-Backbone interact. energy: -0.887
local terms energy: -53.297134
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: 3.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -249.342134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.342134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.342134 (E_RNA)
where:
Base-Base interactions energy: -185.676
where: short stacking energy: -68.728
Base-Backbone interact. energy: -1.250
local terms energy: -62.416555
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -15.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -213.138932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.138932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.138932 (E_RNA)
where:
Base-Base interactions energy: -139.476
where: short stacking energy: -62.315
Base-Backbone interact. energy: -0.199
local terms energy: -73.464275
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -11.765
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: 4
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -206.233857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.233857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.233857 (E_RNA)
where:
Base-Base interactions energy: -127.830
where: short stacking energy: -61.256
Base-Backbone interact. energy: -0.063
local terms energy: -78.340652
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -15.784
tors. eta vs tors. theta energy: -16.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -195.106495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.106495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.106495 (E_RNA)
where:
Base-Base interactions energy: -116.758
where: short stacking energy: -65.774
Base-Backbone interact. energy: -0.002
local terms energy: -78.346996
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -20.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -209.023504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.023504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.023504 (E_RNA)
where:
Base-Base interactions energy: -143.919
where: short stacking energy: -63.460
Base-Backbone interact. energy: -0.189
local terms energy: -64.915968
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -8.444
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: 6, replica: 6
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -135.485281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.485281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.485281 (E_RNA)
where:
Base-Base interactions energy: -72.334
where: short stacking energy: -43.942
Base-Backbone interact. energy: -0.104
local terms energy: -63.046995
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -10.539
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: 2
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -101.420601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.420601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.420601 (E_RNA)
where:
Base-Base interactions energy: -41.737
where: short stacking energy: -29.101
Base-Backbone interact. energy: -0.171
local terms energy: -59.512953
where:
bonds (distance) C4'-P energy: -16.767
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -6.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -106.372753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.372753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.372753 (E_RNA)
where:
Base-Base interactions energy: -48.253
where: short stacking energy: -43.667
Base-Backbone interact. energy: -0.044
local terms energy: -58.075802
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -9.417
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -6.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -91.592744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.592744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.592744 (E_RNA)
where:
Base-Base interactions energy: -36.310
where: short stacking energy: -36.310
Base-Backbone interact. energy: -0.082
local terms energy: -55.200911
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -10.571
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: -10.365
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: 10, replica: 1
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -78.908884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.908884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.908884 (E_RNA)
where:
Base-Base interactions energy: -43.431
where: short stacking energy: -18.291
Base-Backbone interact. energy: -1.033
local terms energy: -34.444803
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -7.532
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -4.012
tors. eta vs tors. theta energy: 3.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -248.052831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.052831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.052831 (E_RNA)
where:
Base-Base interactions energy: -179.385
where: short stacking energy: -68.319
Base-Backbone interact. energy: -0.763
local terms energy: -67.904976
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -12.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -211.714435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.714435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.714435 (E_RNA)
where:
Base-Base interactions energy: -143.469
where: short stacking energy: -56.342
Base-Backbone interact. energy: -2.131
local terms energy: -66.114380
where:
bonds (distance) C4'-P energy: -13.753
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -11.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -213.378474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.378474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.378474 (E_RNA)
where:
Base-Base interactions energy: -131.541
where: short stacking energy: -75.508
Base-Backbone interact. energy: -0.032
local terms energy: -81.804942
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -22.340
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: 3
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -230.457668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.457668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.457668 (E_RNA)
where:
Base-Base interactions energy: -156.088
where: short stacking energy: -59.045
Base-Backbone interact. energy: -1.711
local terms energy: -72.659118
where:
bonds (distance) C4'-P energy: -16.638
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -15.031
tors. eta vs tors. theta energy: -10.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -194.488449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.488449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.488449 (E_RNA)
where:
Base-Base interactions energy: -120.630
where: short stacking energy: -59.064
Base-Backbone interact. energy: -0.018
local terms energy: -73.840088
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -11.092
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: 6, replica: 2
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -107.893525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.893525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.893525 (E_RNA)
where:
Base-Base interactions energy: -62.145
where: short stacking energy: -30.353
Base-Backbone interact. energy: -0.295
local terms energy: -45.453264
where:
bonds (distance) C4'-P energy: -11.177
bonds (distance) P-C4' energy: -19.113
flat angles C4'-P-C4' energy: -7.791
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: 0.243
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: 6
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -129.514581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.514581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.514581 (E_RNA)
where:
Base-Base interactions energy: -72.576
where: short stacking energy: -43.441
Base-Backbone interact. energy: -0.015
local terms energy: -56.923768
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -10.570
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -7.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -98.096934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.096934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.096934 (E_RNA)
where:
Base-Base interactions energy: -44.711
where: short stacking energy: -44.711
Base-Backbone interact. energy: 0.048
local terms energy: -53.433538
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -18.079
flat angles C4'-P-C4' energy: -2.927
flat angles P-C4'-P energy: -7.216
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: 9, replica: 7
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -91.174229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.174229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.174229 (E_RNA)
where:
Base-Base interactions energy: -35.268
where: short stacking energy: -35.268
Base-Backbone interact. energy: -0.142
local terms energy: -55.764690
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -4.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -79.205454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.205454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.205454 (E_RNA)
where:
Base-Base interactions energy: -31.369
where: short stacking energy: -29.083
Base-Backbone interact. energy: 1.818
local terms energy: -49.653802
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -17.244
flat angles P-C4'-P energy: -4.048
tors. eta vs tors. theta energy: -0.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -226.635957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.635957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.635957 (E_RNA)
where:
Base-Base interactions energy: -141.622
where: short stacking energy: -78.668
Base-Backbone interact. energy: -2.058
local terms energy: -82.956156
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -21.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -234.365810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.365810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.365810 (E_RNA)
where:
Base-Base interactions energy: -161.670
where: short stacking energy: -65.746
Base-Backbone interact. energy: -1.675
local terms energy: -71.020604
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -12.679
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: 3, replica: 3
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -241.024748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.024748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.024748 (E_RNA)
where:
Base-Base interactions energy: -170.858
where: short stacking energy: -56.211
Base-Backbone interact. energy: -0.684
local terms energy: -69.483126
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -13.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -206.344196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.344196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.344196 (E_RNA)
where:
Base-Base interactions energy: -135.181
where: short stacking energy: -74.077
Base-Backbone interact. energy: -0.001
local terms energy: -71.161684
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -17.732
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -19.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -191.460118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.460118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.460118 (E_RNA)
where:
Base-Base interactions energy: -118.700
where: short stacking energy: -66.482
Base-Backbone interact. energy: 1.581
local terms energy: -74.340697
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -15.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -109.598410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.598410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.598410 (E_RNA)
where:
Base-Base interactions energy: -50.711
where: short stacking energy: -49.344
Base-Backbone interact. energy: -0.075
local terms energy: -58.812313
where:
bonds (distance) C4'-P energy: -7.369
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -8.298
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: 7, replica: 6
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -138.781983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.781983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.781983 (E_RNA)
where:
Base-Base interactions energy: -72.447
where: short stacking energy: -46.096
Base-Backbone interact. energy: -0.063
local terms energy: -66.272435
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -7.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -93.352026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.352026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.352026 (E_RNA)
where:
Base-Base interactions energy: -43.210
where: short stacking energy: -40.748
Base-Backbone interact. energy: -0.107
local terms energy: -50.035665
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -8.091
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -7.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -77.062954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.062954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.062954 (E_RNA)
where:
Base-Base interactions energy: -30.594
where: short stacking energy: -30.594
Base-Backbone interact. energy: -0.284
local terms energy: -46.184644
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -2.258
flat angles P-C4'-P energy: -6.395
tors. eta vs tors. theta energy: -3.375
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: 10, replica: 1
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -95.553966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.553966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.553966 (E_RNA)
where:
Base-Base interactions energy: -48.388
where: short stacking energy: -17.848
Base-Backbone interact. energy: 1.553
local terms energy: -48.718565
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -9.231
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: 2.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -206.647834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.647834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.647834 (E_RNA)
where:
Base-Base interactions energy: -130.761
where: short stacking energy: -64.020
Base-Backbone interact. energy: -0.468
local terms energy: -75.418470
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: -16.309
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: 3
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -246.892679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.892679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.892679 (E_RNA)
where:
Base-Base interactions energy: -177.186
where: short stacking energy: -65.383
Base-Backbone interact. energy: -1.191
local terms energy: -68.515454
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -4.550
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: 3, replica: 5
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -229.927773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.927773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.927773 (E_RNA)
where:
Base-Base interactions energy: -165.323
where: short stacking energy: -62.956
Base-Backbone interact. energy: -1.023
local terms energy: -63.582214
where:
bonds (distance) C4'-P energy: -10.619
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -13.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -206.943441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.943441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.943441 (E_RNA)
where:
Base-Base interactions energy: -126.397
where: short stacking energy: -69.026
Base-Backbone interact. energy: -0.105
local terms energy: -80.441267
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -21.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -169.506806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.506806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.506806 (E_RNA)
where:
Base-Base interactions energy: -99.474
where: short stacking energy: -50.177
Base-Backbone interact. energy: 0.649
local terms energy: -70.681736
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -15.168
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -8.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -145.493485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.493485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.493485 (E_RNA)
where:
Base-Base interactions energy: -74.369
where: short stacking energy: -49.593
Base-Backbone interact. energy: -0.031
local terms energy: -71.093193
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -19.529
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -9.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -105.533381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.533381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.533381 (E_RNA)
where:
Base-Base interactions energy: -46.205
where: short stacking energy: -37.184
Base-Backbone interact. energy: -0.085
local terms energy: -59.242481
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -5.839
tors. eta vs tors. theta energy: -3.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -85.504052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.504052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.504052 (E_RNA)
where:
Base-Base interactions energy: -39.799
where: short stacking energy: -40.199
Base-Backbone interact. energy: -0.024
local terms energy: -45.681083
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -11.872
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -5.504
tors. eta vs tors. theta energy: -4.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -90.844089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.844089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.844089 (E_RNA)
where:
Base-Base interactions energy: -37.973
where: short stacking energy: -33.654
Base-Backbone interact. energy: -0.283
local terms energy: -52.588663
where:
bonds (distance) C4'-P energy: -16.527
bonds (distance) P-C4' energy: -8.067
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -3.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -115.366312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.366312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.366312 (E_RNA)
where:
Base-Base interactions energy: -63.844
where: short stacking energy: -34.972
Base-Backbone interact. energy: -0.456
local terms energy: -51.065690
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -10.614
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -2.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -247.533438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.533438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.533438 (E_RNA)
where:
Base-Base interactions energy: -177.466
where: short stacking energy: -58.820
Base-Backbone interact. energy: -0.599
local terms energy: -69.467871
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -14.857
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: 2, replica: 8
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -213.459346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.459346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.459346 (E_RNA)
where:
Base-Base interactions energy: -136.527
where: short stacking energy: -61.070
Base-Backbone interact. energy: -0.479
local terms energy: -76.452840
where:
bonds (distance) C4'-P energy: -17.235
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -14.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -238.992714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.992714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.992714 (E_RNA)
where:
Base-Base interactions energy: -161.814
where: short stacking energy: -64.092
Base-Backbone interact. energy: -0.869
local terms energy: -76.309194
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -14.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -201.342959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.342959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.342959 (E_RNA)
where:
Base-Base interactions energy: -118.140
where: short stacking energy: -65.168
Base-Backbone interact. energy: -1.117
local terms energy: -82.086120
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -18.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -189.333183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.333183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.333183 (E_RNA)
where:
Base-Base interactions energy: -120.085
where: short stacking energy: -60.307
Base-Backbone interact. energy: -0.374
local terms energy: -68.873813
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -4.978
tors. eta vs tors. theta energy: -17.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -123.445004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.445004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.445004 (E_RNA)
where:
Base-Base interactions energy: -60.460
where: short stacking energy: -31.654
Base-Backbone interact. energy: -0.111
local terms energy: -62.873813
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -7.366
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: 7, replica: 2
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -100.042199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.042199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.042199 (E_RNA)
where:
Base-Base interactions energy: -41.015
where: short stacking energy: -42.440
Base-Backbone interact. energy: -1.465
local terms energy: -57.562467
where:
bonds (distance) C4'-P energy: -9.438
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -11.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -103.101682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.101682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.101682 (E_RNA)
where:
Base-Base interactions energy: -42.693
where: short stacking energy: -40.187
Base-Backbone interact. energy: -0.055
local terms energy: -60.353465
where:
bonds (distance) C4'-P energy: -17.132
bonds (distance) P-C4' energy: -17.765
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: -4.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -121.123337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.123337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.123337 (E_RNA)
where:
Base-Base interactions energy: -63.021
where: short stacking energy: -35.052
Base-Backbone interact. energy: -0.356
local terms energy: -57.746837
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -4.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -81.009568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.009568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.009568 (E_RNA)
where:
Base-Base interactions energy: -26.093
where: short stacking energy: -26.093
Base-Backbone interact. energy: -0.295
local terms energy: -54.621082
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -4.809
tors. eta vs tors. theta energy: -5.437
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: 3
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -252.037096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.037096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.037096 (E_RNA)
where:
Base-Base interactions energy: -178.197
where: short stacking energy: -69.694
Base-Backbone interact. energy: -1.060
local terms energy: -72.779980
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -12.012
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: 2, replica: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -230.905589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.905589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.905589 (E_RNA)
where:
Base-Base interactions energy: -166.362
where: short stacking energy: -59.721
Base-Backbone interact. energy: -0.567
local terms energy: -63.977240
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -13.428
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: 8
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -212.186160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.186160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.186160 (E_RNA)
where:
Base-Base interactions energy: -134.757
where: short stacking energy: -67.149
Base-Backbone interact. energy: -0.014
local terms energy: -77.414625
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -21.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -206.495315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.495315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.495315 (E_RNA)
where:
Base-Base interactions energy: -136.640
where: short stacking energy: -45.813
Base-Backbone interact. energy: -1.142
local terms energy: -68.713274
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -10.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -211.444492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.444492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.444492 (E_RNA)
where:
Base-Base interactions energy: -127.493
where: short stacking energy: -67.732
Base-Backbone interact. energy: -0.031
local terms energy: -83.921036
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -19.670
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -20.132
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: 2
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -109.184177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.184177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.184177 (E_RNA)
where:
Base-Base interactions energy: -45.266
where: short stacking energy: -32.250
Base-Backbone interact. energy: -0.004
local terms energy: -63.913876
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -6.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -93.839940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.839940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.839940 (E_RNA)
where:
Base-Base interactions energy: -41.583
where: short stacking energy: -29.065
Base-Backbone interact. energy: 0.172
local terms energy: -52.428730
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -8.325
flat angles P-C4'-P energy: -10.192
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: 8, replica: 1
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -93.284965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.284965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.284965 (E_RNA)
where:
Base-Base interactions energy: -40.155
where: short stacking energy: -28.555
Base-Backbone interact. energy: -0.641
local terms energy: -52.489542
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -0.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -88.345884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.345884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.345884 (E_RNA)
where:
Base-Base interactions energy: -35.965
where: short stacking energy: -27.276
Base-Backbone interact. energy: -0.382
local terms energy: -51.998744
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -17.615
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -10.220
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: 10, replica: 9
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -84.145811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.145811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.145811 (E_RNA)
where:
Base-Base interactions energy: -29.666
where: short stacking energy: -29.666
Base-Backbone interact. energy: -0.062
local terms energy: -54.417701
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -6.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -241.947844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.947844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.947844 (E_RNA)
where:
Base-Base interactions energy: -170.688
where: short stacking energy: -68.214
Base-Backbone interact. energy: 2.644
local terms energy: -73.903937
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -13.856
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: 2, replica: 3
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -225.731169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.731169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.731169 (E_RNA)
where:
Base-Base interactions energy: -159.298
where: short stacking energy: -62.488
Base-Backbone interact. energy: -0.847
local terms energy: -65.586492
where:
bonds (distance) C4'-P energy: -10.850
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -10.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -207.455414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.455414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.455414 (E_RNA)
where:
Base-Base interactions energy: -135.107
where: short stacking energy: -64.502
Base-Backbone interact. energy: -0.122
local terms energy: -72.225588
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -18.691
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -16.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -207.387219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.387219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.387219 (E_RNA)
where:
Base-Base interactions energy: -129.006
where: short stacking energy: -67.451
Base-Backbone interact. energy: -0.038
local terms energy: -78.343259
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -20.177
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -19.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -191.935666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.935666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.935666 (E_RNA)
where:
Base-Base interactions energy: -122.090
where: short stacking energy: -61.938
Base-Backbone interact. energy: -0.762
local terms energy: -69.083680
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -14.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -111.634298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.634298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.634298 (E_RNA)
where:
Base-Base interactions energy: -42.745
where: short stacking energy: -39.417
Base-Backbone interact. energy: 0.061
local terms energy: -68.950292
where:
bonds (distance) C4'-P energy: -16.796
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -13.159
tors. eta vs tors. theta energy: -5.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -100.422715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.422715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.422715 (E_RNA)
where:
Base-Base interactions energy: -55.713
where: short stacking energy: -35.892
Base-Backbone interact. energy: 1.653
local terms energy: -46.362579
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -9.756
flat angles P-C4'-P energy: -6.839
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: 8, replica: 6
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -90.277530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.277530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.277530 (E_RNA)
where:
Base-Base interactions energy: -31.317
where: short stacking energy: -29.237
Base-Backbone interact. energy: 0.212
local terms energy: -59.172428
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -11.301
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: 9, replica: 9
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -92.052671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.052671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.052671 (E_RNA)
where:
Base-Base interactions energy: -36.501
where: short stacking energy: -20.446
Base-Backbone interact. energy: -0.081
local terms energy: -55.471139
where:
bonds (distance) C4'-P energy: -8.354
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: -7.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -91.270261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.270261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.270261 (E_RNA)
where:
Base-Base interactions energy: -43.146
where: short stacking energy: -31.183
Base-Backbone interact. energy: -0.216
local terms energy: -47.908616
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -2.442
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: 1, replica: 5
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -244.955618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.955618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.955618 (E_RNA)
where:
Base-Base interactions energy: -173.256
where: short stacking energy: -69.764
Base-Backbone interact. energy: -0.526
local terms energy: -71.172923
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -13.073
tors. eta vs tors. theta energy: -10.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -244.121477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.121477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.121477 (E_RNA)
where:
Base-Base interactions energy: -165.024
where: short stacking energy: -75.637
Base-Backbone interact. energy: -0.582
local terms energy: -78.515669
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -17.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -201.009225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.009225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.009225 (E_RNA)
where:
Base-Base interactions energy: -126.733
where: short stacking energy: -62.759
Base-Backbone interact. energy: -0.005
local terms energy: -74.270945
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -15.803
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -15.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -220.173655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.173655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.173655 (E_RNA)
where:
Base-Base interactions energy: -133.708
where: short stacking energy: -71.693
Base-Backbone interact. energy: -0.031
local terms energy: -86.434210
where:
bonds (distance) C4'-P energy: -18.720
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -20.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -194.826153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.826153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.826153 (E_RNA)
where:
Base-Base interactions energy: -125.513
where: short stacking energy: -69.092
Base-Backbone interact. energy: 0.141
local terms energy: -69.453790
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -10.091
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -17.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -94.747003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.747003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.747003 (E_RNA)
where:
Base-Base interactions energy: -33.087
where: short stacking energy: -34.387
Base-Backbone interact. energy: -0.099
local terms energy: -61.561557
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -7.711
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: 7, replica: 1
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -99.415766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.415766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.415766 (E_RNA)
where:
Base-Base interactions energy: -32.883
where: short stacking energy: -32.501
Base-Backbone interact. energy: -0.283
local terms energy: -66.249739
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -19.849
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -4.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -90.281246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.281246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.281246 (E_RNA)
where:
Base-Base interactions energy: -31.929
where: short stacking energy: -31.929
Base-Backbone interact. energy: -0.049
local terms energy: -58.303216
where:
bonds (distance) C4'-P energy: -10.093
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -5.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -124.451393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.451393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.451393 (E_RNA)
where:
Base-Base interactions energy: -69.744
where: short stacking energy: -38.864
Base-Backbone interact. energy: 1.949
local terms energy: -56.655482
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -10.313
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -10.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -88.084976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.084976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.084976 (E_RNA)
where:
Base-Base interactions energy: -33.721
where: short stacking energy: -33.721
Base-Backbone interact. energy: -0.721
local terms energy: -53.642458
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -11.838
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -6.472
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: 5
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -244.559259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.559259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.559259 (E_RNA)
where:
Base-Base interactions energy: -166.882
where: short stacking energy: -65.664
Base-Backbone interact. energy: -0.520
local terms energy: -77.157102
where:
bonds (distance) C4'-P energy: -11.410
bonds (distance) P-C4' energy: -18.445
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -14.521
tors. eta vs tors. theta energy: -16.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -225.745223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.745223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.745223 (E_RNA)
where:
Base-Base interactions energy: -150.214
where: short stacking energy: -57.769
Base-Backbone interact. energy: -0.280
local terms energy: -75.251475
where:
bonds (distance) C4'-P energy: -18.210
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -11.590
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: 3, replica: 4
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -200.109090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.109090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.109090 (E_RNA)
where:
Base-Base interactions energy: -127.216
where: short stacking energy: -67.743
Base-Backbone interact. energy: -0.033
local terms energy: -72.860120
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -14.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -198.254523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.254523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.254523 (E_RNA)
where:
Base-Base interactions energy: -125.844
where: short stacking energy: -57.882
Base-Backbone interact. energy: -0.385
local terms energy: -72.025442
where:
bonds (distance) C4'-P energy: -10.987
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -14.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -205.645903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.645903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.645903 (E_RNA)
where:
Base-Base interactions energy: -127.939
where: short stacking energy: -68.711
Base-Backbone interact. energy: -0.281
local terms energy: -77.425601
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -17.985
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -19.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -101.521303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.521303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.521303 (E_RNA)
where:
Base-Base interactions energy: -42.763
where: short stacking energy: -42.763
Base-Backbone interact. energy: -0.084
local terms energy: -58.674203
where:
bonds (distance) C4'-P energy: -9.837
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -6.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -100.380671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.380671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.380671 (E_RNA)
where:
Base-Base interactions energy: -45.456
where: short stacking energy: -33.159
Base-Backbone interact. energy: -0.116
local terms energy: -54.808251
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -9.981
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -4.712
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: 1
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -96.581503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.581503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.581503 (E_RNA)
where:
Base-Base interactions energy: -40.160
where: short stacking energy: -37.775
Base-Backbone interact. energy: -0.398
local terms energy: -56.023971
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -4.218
tors. eta vs tors. theta energy: -10.485
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: 7
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -86.272744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.272744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.272744 (E_RNA)
where:
Base-Base interactions energy: -25.778
where: short stacking energy: -25.073
Base-Backbone interact. energy: -1.311
local terms energy: -59.183735
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -8.602
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -6.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -86.831251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.831251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.831251 (E_RNA)
where:
Base-Base interactions energy: -34.553
where: short stacking energy: -21.842
Base-Backbone interact. energy: -0.584
local terms energy: -51.693608
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -11.325
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -0.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -237.574032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.574032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.574032 (E_RNA)
where:
Base-Base interactions energy: -168.764
where: short stacking energy: -62.413
Base-Backbone interact. energy: -0.249
local terms energy: -68.561293
where:
bonds (distance) C4'-P energy: -18.285
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -9.863
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: 3
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -232.516654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.516654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.516654 (E_RNA)
where:
Base-Base interactions energy: -162.667
where: short stacking energy: -70.261
Base-Backbone interact. energy: -0.856
local terms energy: -68.993887
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -4.538
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: 3, replica: 4
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -210.735571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.735571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.735571 (E_RNA)
where:
Base-Base interactions energy: -129.979
where: short stacking energy: -70.772
Base-Backbone interact. energy: -0.092
local terms energy: -80.663906
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -18.391
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -17.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -207.073688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.073688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.073688 (E_RNA)
where:
Base-Base interactions energy: -124.801
where: short stacking energy: -65.811
Base-Backbone interact. energy: -0.607
local terms energy: -81.666239
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -14.971
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -21.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -194.615469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.615469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.615469 (E_RNA)
where:
Base-Base interactions energy: -121.250
where: short stacking energy: -69.667
Base-Backbone interact. energy: -0.034
local terms energy: -73.331470
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: -15.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -110.636273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.636273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.636273 (E_RNA)
where:
Base-Base interactions energy: -39.019
where: short stacking energy: -39.019
Base-Backbone interact. energy: -0.089
local terms energy: -71.528672
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -6.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -102.779608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.779608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.779608 (E_RNA)
where:
Base-Base interactions energy: -40.951
where: short stacking energy: -33.033
Base-Backbone interact. energy: -0.151
local terms energy: -61.677374
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -12.142
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: 8, replica: 7
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -92.217344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.217344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.217344 (E_RNA)
where:
Base-Base interactions energy: -39.068
where: short stacking energy: -39.068
Base-Backbone interact. energy: -0.028
local terms energy: -53.121448
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -6.182
tors. eta vs tors. theta energy: -3.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -87.528392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.528392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.528392 (E_RNA)
where:
Base-Base interactions energy: -31.429
where: short stacking energy: -29.060
Base-Backbone interact. energy: -0.470
local terms energy: -55.629278
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -6.799
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: 10, replica: 9
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -84.710260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.710260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.710260 (E_RNA)
where:
Base-Base interactions energy: -32.037
where: short stacking energy: -32.037
Base-Backbone interact. energy: 0.239
local terms energy: -52.912148
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -1.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -245.688779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.688779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.688779 (E_RNA)
where:
Base-Base interactions energy: -172.541
where: short stacking energy: -72.273
Base-Backbone interact. energy: 0.250
local terms energy: -73.397457
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -8.861
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: 2, replica: 3
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -230.738681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.738681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.738681 (E_RNA)
where:
Base-Base interactions energy: -155.322
where: short stacking energy: -66.788
Base-Backbone interact. energy: -0.867
local terms energy: -74.549791
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -18.466
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -13.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -212.260420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.260420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.260420 (E_RNA)
where:
Base-Base interactions energy: -135.653
where: short stacking energy: -68.301
Base-Backbone interact. energy: -0.750
local terms energy: -75.857964
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -9.641
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: 4, replica: 8
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -203.522881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.522881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.522881 (E_RNA)
where:
Base-Base interactions energy: -131.388
where: short stacking energy: -62.265
Base-Backbone interact. energy: -1.278
local terms energy: -70.856625
where:
bonds (distance) C4'-P energy: -10.635
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -10.598
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: 5, replica: 10
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -176.463899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.463899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.463899 (E_RNA)
where:
Base-Base interactions energy: -106.942
where: short stacking energy: -52.905
Base-Backbone interact. energy: -0.633
local terms energy: -68.889138
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -16.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -106.491739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.491739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.491739 (E_RNA)
where:
Base-Base interactions energy: -41.764
where: short stacking energy: -41.443
Base-Backbone interact. energy: -0.144
local terms energy: -64.583471
where:
bonds (distance) C4'-P energy: -10.880
bonds (distance) P-C4' energy: -15.689
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -13.275
tors. eta vs tors. theta energy: -9.565
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: 7
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -107.225480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.225480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.225480 (E_RNA)
where:
Base-Base interactions energy: -48.187
where: short stacking energy: -39.647
Base-Backbone interact. energy: -0.076
local terms energy: -58.962382
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -7.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -91.039443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.039443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.039443 (E_RNA)
where:
Base-Base interactions energy: -28.830
where: short stacking energy: -27.800
Base-Backbone interact. energy: 1.076
local terms energy: -63.285697
where:
bonds (distance) C4'-P energy: -17.301
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -5.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -87.804318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.804318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.804318 (E_RNA)
where:
Base-Base interactions energy: -28.657
where: short stacking energy: -28.657
Base-Backbone interact. energy: -0.028
local terms energy: -59.118553
where:
bonds (distance) C4'-P energy: -16.191
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -2.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -86.140746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.140746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.140746 (E_RNA)
where:
Base-Base interactions energy: -29.601
where: short stacking energy: -27.255
Base-Backbone interact. energy: -0.272
local terms energy: -56.268434
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -9.217
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: 1, replica: 5
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -245.260145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.260145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.260145 (E_RNA)
where:
Base-Base interactions energy: -164.424
where: short stacking energy: -67.917
Base-Backbone interact. energy: -0.984
local terms energy: -79.852339
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -19.775
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -14.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -214.942434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.942434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.942434 (E_RNA)
where:
Base-Base interactions energy: -137.399
where: short stacking energy: -78.093
Base-Backbone interact. energy: -1.125
local terms energy: -76.418468
where:
bonds (distance) C4'-P energy: -10.976
bonds (distance) P-C4' energy: -17.149
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -19.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -232.787713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.787713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.787713 (E_RNA)
where:
Base-Base interactions energy: -161.818
where: short stacking energy: -71.637
Base-Backbone interact. energy: -0.229
local terms energy: -70.740411
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -15.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -179.405157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.405157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.405157 (E_RNA)
where:
Base-Base interactions energy: -114.199
where: short stacking energy: -50.591
Base-Backbone interact. energy: -0.525
local terms energy: -64.680708
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -8.529
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -14.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -189.982971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.982971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.982971 (E_RNA)
where:
Base-Base interactions energy: -123.266
where: short stacking energy: -59.937
Base-Backbone interact. energy: -0.015
local terms energy: -66.701565
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -16.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -113.018215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.018215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.018215 (E_RNA)
where:
Base-Base interactions energy: -44.946
where: short stacking energy: -44.946
Base-Backbone interact. energy: -0.046
local terms energy: -68.025714
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -19.099
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -7.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -108.231034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.231034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.231034 (E_RNA)
where:
Base-Base interactions energy: -44.638
where: short stacking energy: -30.633
Base-Backbone interact. energy: -1.346
local terms energy: -62.247930
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -5.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -87.504604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.504604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.504604 (E_RNA)
where:
Base-Base interactions energy: -30.233
where: short stacking energy: -30.233
Base-Backbone interact. energy: 2.001
local terms energy: -59.272217
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -0.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -98.575970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.575970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.575970 (E_RNA)
where:
Base-Base interactions energy: -45.883
where: short stacking energy: -45.507
Base-Backbone interact. energy: -0.007
local terms energy: -52.685567
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -13.360
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -5.623
tors. eta vs tors. theta energy: -7.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -85.174041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.174041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.174041 (E_RNA)
where:
Base-Base interactions energy: -34.942
where: short stacking energy: -34.345
Base-Backbone interact. energy: 0.331
local terms energy: -50.563283
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -7.415
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: 5
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -244.381033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.381033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.381033 (E_RNA)
where:
Base-Base interactions energy: -167.410
where: short stacking energy: -67.886
Base-Backbone interact. energy: -1.000
local terms energy: -75.970741
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -12.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -222.672819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.672819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.672819 (E_RNA)
where:
Base-Base interactions energy: -140.845
where: short stacking energy: -72.037
Base-Backbone interact. energy: -1.636
local terms energy: -80.191842
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -18.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -231.119420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.119420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.119420 (E_RNA)
where:
Base-Base interactions energy: -158.447
where: short stacking energy: -64.115
Base-Backbone interact. energy: -0.258
local terms energy: -72.414108
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -15.633
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -12.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -196.658040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.658040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.658040 (E_RNA)
where:
Base-Base interactions energy: -127.680
where: short stacking energy: -57.132
Base-Backbone interact. energy: -1.571
local terms energy: -67.407400
where:
bonds (distance) C4'-P energy: -12.813
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -11.479
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: 5, replica: 8
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -176.167514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.167514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.167514 (E_RNA)
where:
Base-Base interactions energy: -98.559
where: short stacking energy: -58.134
Base-Backbone interact. energy: -0.084
local terms energy: -77.525196
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -14.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -92.501547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.501547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.501547 (E_RNA)
where:
Base-Base interactions energy: -35.088
where: short stacking energy: -33.943
Base-Backbone interact. energy: -0.151
local terms energy: -57.263039
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -2.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -95.118708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.118708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.118708 (E_RNA)
where:
Base-Base interactions energy: -40.337
where: short stacking energy: -40.337
Base-Backbone interact. energy: -0.005
local terms energy: -54.776708
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -4.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -88.744822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.744822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.744822 (E_RNA)
where:
Base-Base interactions energy: -40.017
where: short stacking energy: -34.497
Base-Backbone interact. energy: -0.031
local terms energy: -48.697424
where:
bonds (distance) C4'-P energy: -7.031
bonds (distance) P-C4' energy: -15.726
flat angles C4'-P-C4' energy: -9.113
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -6.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -84.171729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.171729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.171729 (E_RNA)
where:
Base-Base interactions energy: -32.410
where: short stacking energy: -22.950
Base-Backbone interact. energy: -0.785
local terms energy: -50.976586
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -9.893
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -3.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -108.661623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.661623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.661623 (E_RNA)
where:
Base-Base interactions energy: -53.118
where: short stacking energy: -53.118
Base-Backbone interact. energy: -0.024
local terms energy: -55.519709
where:
bonds (distance) C4'-P energy: -9.240
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -9.934
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: -13.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -240.283890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.283890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.283890 (E_RNA)
where:
Base-Base interactions energy: -165.735
where: short stacking energy: -63.501
Base-Backbone interact. energy: 0.198
local terms energy: -74.746324
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -9.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -246.941251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.941251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.941251 (E_RNA)
where:
Base-Base interactions energy: -166.140
where: short stacking energy: -71.383
Base-Backbone interact. energy: -1.609
local terms energy: -79.192352
where:
bonds (distance) C4'-P energy: -18.215
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -16.592
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: 411
Temperature: 1.000000
Total energy: -216.081801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.081801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.081801 (E_RNA)
where:
Base-Base interactions energy: -136.626
where: short stacking energy: -71.894
Base-Backbone interact. energy: -0.076
local terms energy: -79.379482
where:
bonds (distance) C4'-P energy: -9.969
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -15.865
tors. eta vs tors. theta energy: -19.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -186.973998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.973998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.973998 (E_RNA)
where:
Base-Base interactions energy: -126.086
where: short stacking energy: -52.949
Base-Backbone interact. energy: -0.161
local terms energy: -60.727202
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -5.448
tors. eta vs tors. theta energy: -11.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -175.203445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.203445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.203445 (E_RNA)
where:
Base-Base interactions energy: -111.243
where: short stacking energy: -49.503
Base-Backbone interact. energy: 1.307
local terms energy: -65.267441
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -9.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -105.966034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.966034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.966034 (E_RNA)
where:
Base-Base interactions energy: -44.724
where: short stacking energy: -37.934
Base-Backbone interact. energy: -0.778
local terms energy: -60.464842
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -4.044
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: 7, replica: 2
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -101.502375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.502375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.502375 (E_RNA)
where:
Base-Base interactions energy: -40.885
where: short stacking energy: -34.644
Base-Backbone interact. energy: -0.121
local terms energy: -60.496640
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -19.411
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -6.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -97.018517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.018517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.018517 (E_RNA)
where:
Base-Base interactions energy: -38.664
where: short stacking energy: -33.830
Base-Backbone interact. energy: -0.484
local terms energy: -57.870627
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -5.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -110.418038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.418038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.418038 (E_RNA)
where:
Base-Base interactions energy: -46.098
where: short stacking energy: -41.307
Base-Backbone interact. energy: -0.216
local terms energy: -64.104253
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -5.770
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: 10, replica: 6
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -89.182485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.182485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.182485 (E_RNA)
where:
Base-Base interactions energy: -29.910
where: short stacking energy: -29.910
Base-Backbone interact. energy: -0.090
local terms energy: -59.183384
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -11.267
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -6.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -239.837449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.837449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.837449 (E_RNA)
where:
Base-Base interactions energy: -168.451
where: short stacking energy: -72.276
Base-Backbone interact. energy: -0.927
local terms energy: -70.460052
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -9.569
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: 2, replica: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -226.897267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.897267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.897267 (E_RNA)
where:
Base-Base interactions energy: -156.153
where: short stacking energy: -58.201
Base-Backbone interact. energy: -0.581
local terms energy: -70.163254
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -12.400
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: 3, replica: 4
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -221.573860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.573860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.573860 (E_RNA)
where:
Base-Base interactions energy: -135.220
where: short stacking energy: -76.817
Base-Backbone interact. energy: -1.430
local terms energy: -84.923678
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -15.090
tors. eta vs tors. theta energy: -24.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -196.008868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.008868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.008868 (E_RNA)
where:
Base-Base interactions energy: -126.064
where: short stacking energy: -56.737
Base-Backbone interact. energy: -0.034
local terms energy: -69.911489
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -12.261
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -17.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -186.482264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.482264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.482264 (E_RNA)
where:
Base-Base interactions energy: -119.071
where: short stacking energy: -61.243
Base-Backbone interact. energy: -0.958
local terms energy: -66.453532
where:
bonds (distance) C4'-P energy: -6.036
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -18.198
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -15.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -109.112570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.112570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.112570 (E_RNA)
where:
Base-Base interactions energy: -49.746
where: short stacking energy: -49.574
Base-Backbone interact. energy: -0.169
local terms energy: -59.197259
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -12.039
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -6.299
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: 9
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -95.444380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.444380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.444380 (E_RNA)
where:
Base-Base interactions energy: -46.715
where: short stacking energy: -28.723
Base-Backbone interact. energy: -0.300
local terms energy: -48.428822
where:
bonds (distance) C4'-P energy: -7.010
bonds (distance) P-C4' energy: -15.267
flat angles C4'-P-C4' energy: -18.117
flat angles P-C4'-P energy: -5.271
tors. eta vs tors. theta energy: -2.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -90.654243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.654243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.654243 (E_RNA)
where:
Base-Base interactions energy: -35.688
where: short stacking energy: -28.591
Base-Backbone interact. energy: -0.154
local terms energy: -54.811397
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -2.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -86.097574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.097574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.097574 (E_RNA)
where:
Base-Base interactions energy: -36.249
where: short stacking energy: -30.357
Base-Backbone interact. energy: -0.354
local terms energy: -49.495260
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -4.430
tors. eta vs tors. theta energy: -3.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -85.032829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.032829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.032829 (E_RNA)
where:
Base-Base interactions energy: -28.089
where: short stacking energy: -28.089
Base-Backbone interact. energy: -0.113
local terms energy: -56.831141
where:
bonds (distance) C4'-P energy: -10.934
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -7.060
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: 1, replica: 3
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -240.946234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.946234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.946234 (E_RNA)
where:
Base-Base interactions energy: -164.677
where: short stacking energy: -68.076
Base-Backbone interact. energy: 2.063
local terms energy: -78.332233
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -20.204
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -15.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -224.487643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.487643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.487643 (E_RNA)
where:
Base-Base interactions energy: -141.916
where: short stacking energy: -78.770
Base-Backbone interact. energy: -1.384
local terms energy: -81.187053
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -19.349
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -20.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -236.625727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.625727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.625727 (E_RNA)
where:
Base-Base interactions energy: -165.314
where: short stacking energy: -69.576
Base-Backbone interact. energy: -2.057
local terms energy: -69.254782
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -10.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -192.948075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.948075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.948075 (E_RNA)
where:
Base-Base interactions energy: -124.790
where: short stacking energy: -63.412
Base-Backbone interact. energy: -0.027
local terms energy: -68.130736
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -16.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -165.736293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.736293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.736293 (E_RNA)
where:
Base-Base interactions energy: -102.406
where: short stacking energy: -50.081
Base-Backbone interact. energy: -0.225
local terms energy: -63.105722
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: -6.916
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: 413
Temperature: 1.150000
Total energy: -107.644260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.644260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.644260 (E_RNA)
where:
Base-Base interactions energy: -45.067
where: short stacking energy: -44.925
Base-Backbone interact. energy: -0.149
local terms energy: -62.428270
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -18.272
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -7.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -110.280016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.280016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.280016 (E_RNA)
where:
Base-Base interactions energy: -52.733
where: short stacking energy: -41.572
Base-Backbone interact. energy: 0.145
local terms energy: -57.692518
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -8.317
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: 8, replica: 6
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -94.369855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.369855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.369855 (E_RNA)
where:
Base-Base interactions energy: -42.583
where: short stacking energy: -28.848
Base-Backbone interact. energy: -0.027
local terms energy: -51.759172
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -7.971
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -4.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -85.514885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.514885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.514885 (E_RNA)
where:
Base-Base interactions energy: -32.944
where: short stacking energy: -32.944
Base-Backbone interact. energy: -0.129
local terms energy: -52.441432
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -18.670
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -1.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -87.242146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.242146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.242146 (E_RNA)
where:
Base-Base interactions energy: -30.191
where: short stacking energy: -29.541
Base-Backbone interact. energy: 0.049
local terms energy: -57.100037
where:
bonds (distance) C4'-P energy: -9.768
bonds (distance) P-C4' energy: -18.204
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -6.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -240.718172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.718172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.718172 (E_RNA)
where:
Base-Base interactions energy: -171.125
where: short stacking energy: -76.952
Base-Backbone interact. energy: -0.486
local terms energy: -69.107001
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -12.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -212.697281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.697281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.697281 (E_RNA)
where:
Base-Base interactions energy: -134.721
where: short stacking energy: -77.608
Base-Backbone interact. energy: -0.023
local terms energy: -77.953456
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -22.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -229.545112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.545112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.545112 (E_RNA)
where:
Base-Base interactions energy: -162.632
where: short stacking energy: -61.476
Base-Backbone interact. energy: -0.718
local terms energy: -66.194172
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -10.173
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: 10
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -189.444799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.444799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.444799 (E_RNA)
where:
Base-Base interactions energy: -111.962
where: short stacking energy: -49.884
Base-Backbone interact. energy: -0.238
local terms energy: -77.245565
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -13.043
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: 5, replica: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -178.875890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.875890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.875890 (E_RNA)
where:
Base-Base interactions energy: -108.443
where: short stacking energy: -61.749
Base-Backbone interact. energy: -0.101
local terms energy: -70.332321
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -6.435
tors. eta vs tors. theta energy: -15.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -114.211775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.211775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.211775 (E_RNA)
where:
Base-Base interactions energy: -49.495
where: short stacking energy: -48.971
Base-Backbone interact. energy: -0.094
local terms energy: -64.621966
where:
bonds (distance) C4'-P energy: -16.551
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -7.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -113.665725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.665725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.665725 (E_RNA)
where:
Base-Base interactions energy: -55.228
where: short stacking energy: -41.751
Base-Backbone interact. energy: -0.817
local terms energy: -57.621161
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -5.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -87.958233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.958233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.958233 (E_RNA)
where:
Base-Base interactions energy: -35.524
where: short stacking energy: -33.876
Base-Backbone interact. energy: 0.455
local terms energy: -52.889238
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -3.312
tors. eta vs tors. theta energy: -6.822
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: 9, replica: 1
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -97.320484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.320484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.320484 (E_RNA)
where:
Base-Base interactions energy: -43.096
where: short stacking energy: -36.618
Base-Backbone interact. energy: -0.417
local terms energy: -53.808106
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -2.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -89.759469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.759469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.759469 (E_RNA)
where:
Base-Base interactions energy: -36.592
where: short stacking energy: -33.970
Base-Backbone interact. energy: -0.106
local terms energy: -53.062218
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -9.012
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: 1, replica: 3
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -240.807570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.807570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.807570 (E_RNA)
where:
Base-Base interactions energy: -162.794
where: short stacking energy: -65.887
Base-Backbone interact. energy: -0.646
local terms energy: -77.367968
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -18.062
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -14.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -232.615335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.615335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.615335 (E_RNA)
where:
Base-Base interactions energy: -160.148
where: short stacking energy: -60.669
Base-Backbone interact. energy: -0.816
local terms energy: -71.651155
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -13.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -191.432176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.432176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.432176 (E_RNA)
where:
Base-Base interactions energy: -123.149
where: short stacking energy: -58.388
Base-Backbone interact. energy: -0.332
local terms energy: -67.951191
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -17.416
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -14.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -168.508996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.508996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.508996 (E_RNA)
where:
Base-Base interactions energy: -100.518
where: short stacking energy: -48.954
Base-Backbone interact. energy: -0.924
local terms energy: -67.066840
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -10.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -189.797723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.797723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.797723 (E_RNA)
where:
Base-Base interactions energy: -118.373
where: short stacking energy: -50.657
Base-Backbone interact. energy: -0.219
local terms energy: -71.205895
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -14.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -110.533475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.533475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.533475 (E_RNA)
where:
Base-Base interactions energy: -56.233
where: short stacking energy: -41.806
Base-Backbone interact. energy: -0.095
local terms energy: -54.205287
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -17.915
flat angles C4'-P-C4' energy: -9.142
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -4.730
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: 7
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -160.542003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.542003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.542003 (E_RNA)
where:
Base-Base interactions energy: -96.124
where: short stacking energy: -38.392
Base-Backbone interact. energy: -0.246
local terms energy: -64.171443
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -7.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -86.348236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.348236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.348236 (E_RNA)
where:
Base-Base interactions energy: -35.413
where: short stacking energy: -28.935
Base-Backbone interact. energy: -0.718
local terms energy: -50.217849
where:
bonds (distance) C4'-P energy: -10.113
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -8.120
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: 9, replica: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -88.556116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.556116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.556116 (E_RNA)
where:
Base-Base interactions energy: -35.619
where: short stacking energy: -35.619
Base-Backbone interact. energy: -0.101
local terms energy: -52.836071
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -8.699
flat angles P-C4'-P energy: -5.150
tors. eta vs tors. theta energy: -5.171
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: 2
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -81.800241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.800241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.800241 (E_RNA)
where:
Base-Base interactions energy: -19.666
where: short stacking energy: -19.666
Base-Backbone interact. energy: 2.399
local terms energy: -64.533354
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -18.207
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -10.423
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: 1, replica: 5
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -242.862745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.862745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.862745 (E_RNA)
where:
Base-Base interactions energy: -162.983
where: short stacking energy: -63.518
Base-Backbone interact. energy: -0.569
local terms energy: -79.311243
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -15.931
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: 3
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -234.588285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.588285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.588285 (E_RNA)
where:
Base-Base interactions energy: -158.172
where: short stacking energy: -63.785
Base-Backbone interact. energy: -0.129
local terms energy: -76.287340
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -14.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -175.519330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.519330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.519330 (E_RNA)
where:
Base-Base interactions energy: -95.856
where: short stacking energy: -49.424
Base-Backbone interact. energy: -0.691
local terms energy: -78.971554
where:
bonds (distance) C4'-P energy: -17.271
bonds (distance) P-C4' energy: -18.067
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -13.414
tors. eta vs tors. theta energy: -16.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -197.135909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.135909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.135909 (E_RNA)
where:
Base-Base interactions energy: -131.033
where: short stacking energy: -58.329
Base-Backbone interact. energy: 0.340
local terms energy: -66.443718
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -14.670
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: 10
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -180.382570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.382570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.382570 (E_RNA)
where:
Base-Base interactions energy: -118.500
where: short stacking energy: -55.376
Base-Backbone interact. energy: -0.455
local terms energy: -61.427081
where:
bonds (distance) C4'-P energy: -11.745
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -8.922
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -15.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -112.037475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.037475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.037475 (E_RNA)
where:
Base-Base interactions energy: -55.562
where: short stacking energy: -33.010
Base-Backbone interact. energy: -0.098
local terms energy: -56.377662
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: -3.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -177.820432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.820432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.820432 (E_RNA)
where:
Base-Base interactions energy: -119.020
where: short stacking energy: -56.573
Base-Backbone interact. energy: -0.558
local terms energy: -58.242049
where:
bonds (distance) C4'-P energy: -9.624
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -9.679
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -12.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -88.438351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.438351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.438351 (E_RNA)
where:
Base-Base interactions energy: -32.197
where: short stacking energy: -29.794
Base-Backbone interact. energy: 1.231
local terms energy: -57.472239
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -4.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -91.649186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.649186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.649186 (E_RNA)
where:
Base-Base interactions energy: -37.977
where: short stacking energy: -34.973
Base-Backbone interact. energy: -0.006
local terms energy: -53.665862
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -2.101
tors. eta vs tors. theta energy: -7.491
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: 9
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -86.426133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.426133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.426133 (E_RNA)
where:
Base-Base interactions energy: -32.460
where: short stacking energy: -32.460
Base-Backbone interact. energy: -0.058
local terms energy: -53.908082
where:
bonds (distance) C4'-P energy: -9.417
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -5.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -239.356477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.356477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.356477 (E_RNA)
where:
Base-Base interactions energy: -163.795
where: short stacking energy: -77.703
Base-Backbone interact. energy: -0.484
local terms energy: -75.077797
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -18.575
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -15.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -241.109913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.109913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.109913 (E_RNA)
where:
Base-Base interactions energy: -167.863
where: short stacking energy: -69.462
Base-Backbone interact. energy: -0.904
local terms energy: -72.342698
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -16.304
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: 3, replica: 8
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -200.615013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.615013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.615013 (E_RNA)
where:
Base-Base interactions energy: -133.728
where: short stacking energy: -64.124
Base-Backbone interact. energy: -0.029
local terms energy: -66.858124
where:
bonds (distance) C4'-P energy: -18.357
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -8.153
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -15.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -207.982901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.982901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.982901 (E_RNA)
where:
Base-Base interactions energy: -137.209
where: short stacking energy: -56.157
Base-Backbone interact. energy: -0.983
local terms energy: -69.790313
where:
bonds (distance) C4'-P energy: -12.531
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -13.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -180.555153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.555153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.555153 (E_RNA)
where:
Base-Base interactions energy: -113.434
where: short stacking energy: -52.627
Base-Backbone interact. energy: -0.330
local terms energy: -66.791085
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -13.494
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: 6, replica: 7
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -181.129005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.129005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.129005 (E_RNA)
where:
Base-Base interactions energy: -113.484
where: short stacking energy: -63.114
Base-Backbone interact. energy: -0.118
local terms energy: -67.526995
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -14.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -95.044046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.044046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.044046 (E_RNA)
where:
Base-Base interactions energy: -39.436
where: short stacking energy: -30.515
Base-Backbone interact. energy: -0.185
local terms energy: -55.422656
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -3.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -86.014701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.014701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.014701 (E_RNA)
where:
Base-Base interactions energy: -32.119
where: short stacking energy: -24.848
Base-Backbone interact. energy: -0.213
local terms energy: -53.682336
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: 2.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -83.972821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.972821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.972821 (E_RNA)
where:
Base-Base interactions energy: -28.696
where: short stacking energy: -28.696
Base-Backbone interact. energy: -0.171
local terms energy: -55.105716
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -9.510
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -5.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -96.894612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.894612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.894612 (E_RNA)
where:
Base-Base interactions energy: -34.332
where: short stacking energy: -33.610
Base-Backbone interact. energy: -0.038
local terms energy: -62.525119
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -6.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -237.396700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.396700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.396700 (E_RNA)
where:
Base-Base interactions energy: -163.108
where: short stacking energy: -69.518
Base-Backbone interact. energy: 0.021
local terms energy: -74.309611
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -19.505
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -14.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -231.498401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.498401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.498401 (E_RNA)
where:
Base-Base interactions energy: -157.535
where: short stacking energy: -64.587
Base-Backbone interact. energy: -0.304
local terms energy: -73.659268
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -19.367
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -14.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -215.354086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.354086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.354086 (E_RNA)
where:
Base-Base interactions energy: -135.748
where: short stacking energy: -75.824
Base-Backbone interact. energy: -1.393
local terms energy: -78.212806
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -18.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -187.799094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.799094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.799094 (E_RNA)
where:
Base-Base interactions energy: -121.016
where: short stacking energy: -55.135
Base-Backbone interact. energy: -0.915
local terms energy: -65.868670
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -4.966
tors. eta vs tors. theta energy: -13.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -193.472767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.472767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.472767 (E_RNA)
where:
Base-Base interactions energy: -118.937
where: short stacking energy: -64.493
Base-Backbone interact. energy: -0.122
local terms energy: -74.414464
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -16.854
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: 7
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -186.267481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.267481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.267481 (E_RNA)
where:
Base-Base interactions energy: -117.617
where: short stacking energy: -49.365
Base-Backbone interact. energy: -0.108
local terms energy: -68.542606
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -12.416
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: 2
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -105.198200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.198200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.198200 (E_RNA)
where:
Base-Base interactions energy: -43.801
where: short stacking energy: -42.104
Base-Backbone interact. energy: 0.328
local terms energy: -61.725699
where:
bonds (distance) C4'-P energy: -9.067
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -10.613
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -12.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -96.439224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.439224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.439224 (E_RNA)
where:
Base-Base interactions energy: -44.972
where: short stacking energy: -20.903
Base-Backbone interact. energy: -0.227
local terms energy: -51.240408
where:
bonds (distance) C4'-P energy: -18.343
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -3.266
tors. eta vs tors. theta energy: 2.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -91.052141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.052141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.052141 (E_RNA)
where:
Base-Base interactions energy: -24.773
where: short stacking energy: -24.773
Base-Backbone interact. energy: 0.226
local terms energy: -66.505134
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -13.768
tors. eta vs tors. theta energy: -1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -86.836358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.836358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.836358 (E_RNA)
where:
Base-Base interactions energy: -36.124
where: short stacking energy: -22.249
Base-Backbone interact. energy: -0.023
local terms energy: -50.689056
where:
bonds (distance) C4'-P energy: -9.202
bonds (distance) P-C4' energy: -14.334
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -1.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -237.342921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.342921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.342921 (E_RNA)
where:
Base-Base interactions energy: -164.394
where: short stacking energy: -70.422
Base-Backbone interact. energy: -0.312
local terms energy: -72.637428
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -17.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -230.722269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.722269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.722269 (E_RNA)
where:
Base-Base interactions energy: -158.541
where: short stacking energy: -65.050
Base-Backbone interact. energy: -0.788
local terms energy: -71.392446
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -11.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -216.009122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.009122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.009122 (E_RNA)
where:
Base-Base interactions energy: -142.979
where: short stacking energy: -68.026
Base-Backbone interact. energy: -0.058
local terms energy: -72.972260
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -17.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -195.402242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.402242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.402242 (E_RNA)
where:
Base-Base interactions energy: -124.747
where: short stacking energy: -64.818
Base-Backbone interact. energy: -0.016
local terms energy: -70.638748
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -184.516438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.516438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.516438 (E_RNA)
where:
Base-Base interactions energy: -114.272
where: short stacking energy: -60.483
Base-Backbone interact. energy: -0.067
local terms energy: -70.177989
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -11.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -195.694901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.694901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.694901 (E_RNA)
where:
Base-Base interactions energy: -116.889
where: short stacking energy: -65.635
Base-Backbone interact. energy: -0.005
local terms energy: -78.800472
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -115.168627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.168627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.168627 (E_RNA)
where:
Base-Base interactions energy: -42.857
where: short stacking energy: -28.171
Base-Backbone interact. energy: -0.250
local terms energy: -72.062323
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -10.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -88.813196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.813196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.813196 (E_RNA)
where:
Base-Base interactions energy: -30.211
where: short stacking energy: -30.211
Base-Backbone interact. energy: -0.024
local terms energy: -58.578384
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -5.821
tors. eta vs tors. theta energy: -4.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -86.806624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.806624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.806624 (E_RNA)
where:
Base-Base interactions energy: -32.055
where: short stacking energy: -32.055
Base-Backbone interact. energy: -0.138
local terms energy: -54.612975
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -8.086
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: 10, replica: 1
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -80.268964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.268964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.268964 (E_RNA)
where:
Base-Base interactions energy: -30.787
where: short stacking energy: -30.787
Base-Backbone interact. energy: -0.112
local terms energy: -49.369930
where:
bonds (distance) C4'-P energy: -6.653
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -10.264
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -5.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -235.934754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.934754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.934754 (E_RNA)
where:
Base-Base interactions energy: -159.712
where: short stacking energy: -72.960
Base-Backbone interact. energy: -0.314
local terms energy: -75.908929
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -13.621
tors. eta vs tors. theta energy: -15.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -244.977221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.977221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.977221 (E_RNA)
where:
Base-Base interactions energy: -161.768
where: short stacking energy: -70.748
Base-Backbone interact. energy: -0.334
local terms energy: -82.875529
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: -16.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -221.658920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.658920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.658920 (E_RNA)
where:
Base-Base interactions energy: -148.985
where: short stacking energy: -66.808
Base-Backbone interact. energy: -0.118
local terms energy: -72.555673
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -17.821
flat angles P-C4'-P energy: -12.794
tors. eta vs tors. theta energy: -13.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -203.821361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.821361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.821361 (E_RNA)
where:
Base-Base interactions energy: -131.868
where: short stacking energy: -64.654
Base-Backbone interact. energy: -0.415
local terms energy: -71.538347
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -18.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -187.846248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.846248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.846248 (E_RNA)
where:
Base-Base interactions energy: -114.473
where: short stacking energy: -62.676
Base-Backbone interact. energy: -0.339
local terms energy: -73.033409
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -8.996
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: 4
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -171.828374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.828374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.828374 (E_RNA)
where:
Base-Base interactions energy: -105.902
where: short stacking energy: -51.866
Base-Backbone interact. energy: -0.016
local terms energy: -65.910772
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -19.489
flat angles C4'-P-C4' energy: -10.041
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -13.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -133.833571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.833571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.833571 (E_RNA)
where:
Base-Base interactions energy: -77.448
where: short stacking energy: -38.223
Base-Backbone interact. energy: -0.017
local terms energy: -56.368529
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -6.354
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: 8, replica: 9
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -98.277061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.277061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.277061 (E_RNA)
where:
Base-Base interactions energy: -42.563
where: short stacking energy: -36.027
Base-Backbone interact. energy: -0.074
local terms energy: -55.639445
where:
bonds (distance) C4'-P energy: -12.436
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -5.589
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: 9, replica: 1
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -92.639957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.639957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.639957 (E_RNA)
where:
Base-Base interactions energy: -30.056
where: short stacking energy: -21.164
Base-Backbone interact. energy: -0.491
local terms energy: -62.093785
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -3.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -88.784187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.784187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.784187 (E_RNA)
where:
Base-Base interactions energy: -43.850
where: short stacking energy: -32.408
Base-Backbone interact. energy: -0.004
local terms energy: -44.930632
where:
bonds (distance) C4'-P energy: -7.536
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: 2.533
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: 5
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -238.534398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.534398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.534398 (E_RNA)
where:
Base-Base interactions energy: -153.867
where: short stacking energy: -67.189
Base-Backbone interact. energy: -0.865
local terms energy: -83.802380
where:
bonds (distance) C4'-P energy: -18.190
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -18.212
flat angles P-C4'-P energy: -13.618
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: 2, replica: 3
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -237.496225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.496225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.496225 (E_RNA)
where:
Base-Base interactions energy: -165.980
where: short stacking energy: -69.915
Base-Backbone interact. energy: -0.532
local terms energy: -70.984347
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -14.788
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -12.404
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: 3, replica: 10
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -207.763712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.763712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.763712 (E_RNA)
where:
Base-Base interactions energy: -133.670
where: short stacking energy: -62.198
Base-Backbone interact. energy: -0.501
local terms energy: -73.592108
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -18.818
flat angles C4'-P-C4' energy: -17.804
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -13.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -206.862469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.862469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.862469 (E_RNA)
where:
Base-Base interactions energy: -133.167
where: short stacking energy: -72.821
Base-Backbone interact. energy: -0.175
local terms energy: -73.520721
where:
bonds (distance) C4'-P energy: -16.597
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -18.095
flat angles P-C4'-P energy: -11.522
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: 5, replica: 7
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -186.014193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.014193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.014193 (E_RNA)
where:
Base-Base interactions energy: -117.008
where: short stacking energy: -55.769
Base-Backbone interact. energy: -0.013
local terms energy: -68.993853
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -11.280
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: 6, replica: 2
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -146.511169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.511169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.511169 (E_RNA)
where:
Base-Base interactions energy: -82.278
where: short stacking energy: -43.629
Base-Backbone interact. energy: -0.022
local terms energy: -64.210915
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -11.223
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -8.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -171.402103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.402103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.402103 (E_RNA)
where:
Base-Base interactions energy: -102.907
where: short stacking energy: -49.477
Base-Backbone interact. energy: -0.383
local terms energy: -68.112298
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -14.138
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: 1
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -93.728589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.728589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.728589 (E_RNA)
where:
Base-Base interactions energy: -30.097
where: short stacking energy: -28.171
Base-Backbone interact. energy: -0.033
local terms energy: -63.598213
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -8.048
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: 9
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -93.695049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.695049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.695049 (E_RNA)
where:
Base-Base interactions energy: -34.406
where: short stacking energy: -34.357
Base-Backbone interact. energy: -0.021
local terms energy: -59.268032
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -6.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -78.289897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.289897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.289897 (E_RNA)
where:
Base-Base interactions energy: -29.253
where: short stacking energy: -27.771
Base-Backbone interact. energy: -0.324
local terms energy: -48.712070
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -5.097
tors. eta vs tors. theta energy: -1.036
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: 3
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -234.672677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.672677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.672677 (E_RNA)
where:
Base-Base interactions energy: -161.281
where: short stacking energy: -75.491
Base-Backbone interact. energy: -0.111
local terms energy: -73.279944
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -17.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -238.979782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.979782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.979782 (E_RNA)
where:
Base-Base interactions energy: -168.794
where: short stacking energy: -73.390
Base-Backbone interact. energy: -0.148
local terms energy: -70.037032
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -16.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -216.006462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.006462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.006462 (E_RNA)
where:
Base-Base interactions energy: -140.225
where: short stacking energy: -65.154
Base-Backbone interact. energy: 0.736
local terms energy: -76.517823
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -18.380
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -17.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -211.482970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.482970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.482970 (E_RNA)
where:
Base-Base interactions energy: -138.155
where: short stacking energy: -78.680
Base-Backbone interact. energy: -0.003
local terms energy: -73.324950
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -21.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -187.104127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.104127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.104127 (E_RNA)
where:
Base-Base interactions energy: -115.955
where: short stacking energy: -59.336
Base-Backbone interact. energy: -0.203
local terms energy: -70.946028
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -10.989
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: 6, replica: 2
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -145.536457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.536457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.536457 (E_RNA)
where:
Base-Base interactions energy: -72.892
where: short stacking energy: -41.170
Base-Backbone interact. energy: -0.122
local terms energy: -72.522713
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -8.842
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: 7, replica: 4
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -188.907242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.907242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.907242 (E_RNA)
where:
Base-Base interactions energy: -129.396
where: short stacking energy: -66.295
Base-Backbone interact. energy: -0.602
local terms energy: -58.909395
where:
bonds (distance) C4'-P energy: -7.700
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -3.684
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: 8, replica: 1
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -96.054091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.054091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.054091 (E_RNA)
where:
Base-Base interactions energy: -33.229
where: short stacking energy: -33.229
Base-Backbone interact. energy: -0.110
local terms energy: -62.715387
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -10.563
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: 6
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -92.408567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.408567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.408567 (E_RNA)
where:
Base-Base interactions energy: -32.648
where: short stacking energy: -30.551
Base-Backbone interact. energy: -0.793
local terms energy: -58.967996
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -6.174
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: 10, replica: 9
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -79.870903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.870903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.870903 (E_RNA)
where:
Base-Base interactions energy: -33.084
where: short stacking energy: -30.980
Base-Backbone interact. energy: -0.331
local terms energy: -46.456128
where:
bonds (distance) C4'-P energy: -12.701
bonds (distance) P-C4' energy: -9.464
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -3.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -233.215839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.215839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.215839 (E_RNA)
where:
Base-Base interactions energy: -154.664
where: short stacking energy: -66.322
Base-Backbone interact. energy: -0.449
local terms energy: -78.102872
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -18.612
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -14.165
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: 5
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -239.681861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.681861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.681861 (E_RNA)
where:
Base-Base interactions energy: -161.485
where: short stacking energy: -69.618
Base-Backbone interact. energy: -0.323
local terms energy: -77.874285
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -18.459
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -17.119
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: 10
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -210.584636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.584636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.584636 (E_RNA)
where:
Base-Base interactions energy: -138.027
where: short stacking energy: -59.851
Base-Backbone interact. energy: -0.020
local terms energy: -72.538130
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -16.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -203.412128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.412128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.412128 (E_RNA)
where:
Base-Base interactions energy: -125.805
where: short stacking energy: -61.711
Base-Backbone interact. energy: 0.403
local terms energy: -78.010759
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -20.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -167.599494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.599494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.599494 (E_RNA)
where:
Base-Base interactions energy: -100.164
where: short stacking energy: -50.166
Base-Backbone interact. energy: -0.070
local terms energy: -67.365598
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -7.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -172.988203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.988203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.988203 (E_RNA)
where:
Base-Base interactions energy: -110.473
where: short stacking energy: -56.245
Base-Backbone interact. energy: -0.591
local terms energy: -61.923915
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -5.244
tors. eta vs tors. theta energy: -16.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -163.303066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.303066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.303066 (E_RNA)
where:
Base-Base interactions energy: -94.773
where: short stacking energy: -50.464
Base-Backbone interact. energy: -0.956
local terms energy: -67.573906
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -12.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -94.107520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.107520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.107520 (E_RNA)
where:
Base-Base interactions energy: -32.396
where: short stacking energy: -32.396
Base-Backbone interact. energy: -0.082
local terms energy: -61.630224
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -11.926
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: 9, replica: 6
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -88.474367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.474367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.474367 (E_RNA)
where:
Base-Base interactions energy: -39.399
where: short stacking energy: -34.769
Base-Backbone interact. energy: -0.166
local terms energy: -48.908989
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -11.364
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -2.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -80.509376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.509376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.509376 (E_RNA)
where:
Base-Base interactions energy: -23.334
where: short stacking energy: -23.334
Base-Backbone interact. energy: -0.260
local terms energy: -56.915560
where:
bonds (distance) C4'-P energy: -10.358
bonds (distance) P-C4' energy: -17.851
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -6.333
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: 5
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -239.078925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.078925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.078925 (E_RNA)
where:
Base-Base interactions energy: -153.027
where: short stacking energy: -67.875
Base-Backbone interact. energy: -0.268
local terms energy: -85.783741
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -13.386
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: 3
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -224.328901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.328901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.328901 (E_RNA)
where:
Base-Base interactions energy: -155.379
where: short stacking energy: -61.186
Base-Backbone interact. energy: -0.710
local terms energy: -68.239189
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -11.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -218.497891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.497891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.497891 (E_RNA)
where:
Base-Base interactions energy: -133.654
where: short stacking energy: -76.668
Base-Backbone interact. energy: -0.044
local terms energy: -84.800528
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -17.827
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -22.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -198.476196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.476196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.476196 (E_RNA)
where:
Base-Base interactions energy: -127.565
where: short stacking energy: -61.874
Base-Backbone interact. energy: -0.044
local terms energy: -70.867808
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -13.721
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -11.603
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: 4
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -182.133557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.133557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.133557 (E_RNA)
where:
Base-Base interactions energy: -110.936
where: short stacking energy: -53.868
Base-Backbone interact. energy: -0.136
local terms energy: -71.061658
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -11.144
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: 6, replica: 7
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -171.071865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.071865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.071865 (E_RNA)
where:
Base-Base interactions energy: -98.407
where: short stacking energy: -57.439
Base-Backbone interact. energy: -0.564
local terms energy: -72.100513
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -16.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -156.501561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.501561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.501561 (E_RNA)
where:
Base-Base interactions energy: -92.085
where: short stacking energy: -43.644
Base-Backbone interact. energy: -1.016
local terms energy: -63.400578
where:
bonds (distance) C4'-P energy: -16.377
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -6.806
tors. eta vs tors. theta energy: -10.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -95.638966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.638966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.638966 (E_RNA)
where:
Base-Base interactions energy: -39.526
where: short stacking energy: -28.813
Base-Backbone interact. energy: 0.233
local terms energy: -56.345129
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -3.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -89.150563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.150563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.150563 (E_RNA)
where:
Base-Base interactions energy: -39.951
where: short stacking energy: -35.437
Base-Backbone interact. energy: -0.115
local terms energy: -49.084178
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -1.550
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: 10, replica: 6
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -79.765663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.765663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.765663 (E_RNA)
where:
Base-Base interactions energy: -24.865
where: short stacking energy: -24.865
Base-Backbone interact. energy: -0.173
local terms energy: -54.727439
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -4.259
tors. eta vs tors. theta energy: -2.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -239.639498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.639498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.639498 (E_RNA)
where:
Base-Base interactions energy: -159.126
where: short stacking energy: -73.413
Base-Backbone interact. energy: -0.355
local terms energy: -80.159103
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -18.560
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -18.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -224.844401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.844401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.844401 (E_RNA)
where:
Base-Base interactions energy: -137.655
where: short stacking energy: -79.276
Base-Backbone interact. energy: -0.213
local terms energy: -86.976244
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -19.201
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -23.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -227.097058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.097058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.097058 (E_RNA)
where:
Base-Base interactions energy: -156.750
where: short stacking energy: -69.547
Base-Backbone interact. energy: -0.022
local terms energy: -70.325184
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -16.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -203.627140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.627140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.627140 (E_RNA)
where:
Base-Base interactions energy: -133.242
where: short stacking energy: -61.191
Base-Backbone interact. energy: -0.180
local terms energy: -70.205257
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -7.210
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: 5, replica: 10
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -196.461780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.461780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.461780 (E_RNA)
where:
Base-Base interactions energy: -134.049
where: short stacking energy: -54.818
Base-Backbone interact. energy: -0.087
local terms energy: -62.325810
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -10.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -177.196178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.196178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.196178 (E_RNA)
where:
Base-Base interactions energy: -109.249
where: short stacking energy: -55.436
Base-Backbone interact. energy: -0.108
local terms energy: -67.838387
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -13.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -149.119532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.119532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.119532 (E_RNA)
where:
Base-Base interactions energy: -85.457
where: short stacking energy: -43.296
Base-Backbone interact. energy: -0.264
local terms energy: -63.397738
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -16.017
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -7.913
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: 8, replica: 9
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -99.115897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.115897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.115897 (E_RNA)
where:
Base-Base interactions energy: -42.911
where: short stacking energy: -25.919
Base-Backbone interact. energy: -0.120
local terms energy: -56.084414
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: 1.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -91.485816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.485816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.485816 (E_RNA)
where:
Base-Base interactions energy: -38.927
where: short stacking energy: -38.927
Base-Backbone interact. energy: -0.161
local terms energy: -52.398479
where:
bonds (distance) C4'-P energy: -14.796
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -11.151
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -6.220
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: 6
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -78.582128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.582128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.582128 (E_RNA)
where:
Base-Base interactions energy: -21.614
where: short stacking energy: -21.614
Base-Backbone interact. energy: -0.093
local terms energy: -56.874752
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -1.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -225.482830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.482830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.482830 (E_RNA)
where:
Base-Base interactions energy: -142.157
where: short stacking energy: -76.873
Base-Backbone interact. energy: -0.474
local terms energy: -82.851976
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -14.912
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: 2, replica: 5
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -234.766609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.766609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.766609 (E_RNA)
where:
Base-Base interactions energy: -161.260
where: short stacking energy: -65.605
Base-Backbone interact. energy: 0.573
local terms energy: -74.079610
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -18.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -212.407863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.407863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.407863 (E_RNA)
where:
Base-Base interactions energy: -136.081
where: short stacking energy: -74.164
Base-Backbone interact. energy: -0.262
local terms energy: -76.064525
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -18.859
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -18.601
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: 3
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -217.588349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.588349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.588349 (E_RNA)
where:
Base-Base interactions energy: -140.988
where: short stacking energy: -66.741
Base-Backbone interact. energy: -0.657
local terms energy: -75.942701
where:
bonds (distance) C4'-P energy: -16.841
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -16.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -187.708035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.708035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.708035 (E_RNA)
where:
Base-Base interactions energy: -118.314
where: short stacking energy: -49.318
Base-Backbone interact. energy: -0.007
local terms energy: -69.386546
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -15.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -171.595046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.595046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.595046 (E_RNA)
where:
Base-Base interactions energy: -108.393
where: short stacking energy: -57.087
Base-Backbone interact. energy: -0.256
local terms energy: -62.945974
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -16.882
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: -15.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -121.781925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.781925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.781925 (E_RNA)
where:
Base-Base interactions energy: -58.139
where: short stacking energy: -42.164
Base-Backbone interact. energy: 0.774
local terms energy: -64.416480
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -9.756
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: 8, replica: 9
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -118.566280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.566280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.566280 (E_RNA)
where:
Base-Base interactions energy: -53.313
where: short stacking energy: -41.983
Base-Backbone interact. energy: -0.118
local terms energy: -65.135707
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -9.412
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: 9, replica: 6
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -81.508383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.508383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.508383 (E_RNA)
where:
Base-Base interactions energy: -31.346
where: short stacking energy: -19.728
Base-Backbone interact. energy: -0.010
local terms energy: -50.152152
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: 2.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -89.952615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.952615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.952615 (E_RNA)
where:
Base-Base interactions energy: -37.008
where: short stacking energy: -37.008
Base-Backbone interact. energy: -0.073
local terms energy: -52.871379
where:
bonds (distance) C4'-P energy: -5.397
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -5.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -239.017068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.017068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.017068 (E_RNA)
where:
Base-Base interactions energy: -157.081
where: short stacking energy: -70.069
Base-Backbone interact. energy: -1.499
local terms energy: -80.437119
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -14.718
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -12.591
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: 2, replica: 5
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -237.009201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.009201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.009201 (E_RNA)
where:
Base-Base interactions energy: -165.242
where: short stacking energy: -71.107
Base-Backbone interact. energy: -0.443
local terms energy: -71.324272
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -9.267
flat angles P-C4'-P energy: -12.195
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: 4
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -214.531799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.531799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.531799 (E_RNA)
where:
Base-Base interactions energy: -136.293
where: short stacking energy: -77.442
Base-Backbone interact. energy: 0.182
local terms energy: -78.419940
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -14.844
tors. eta vs tors. theta energy: -18.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -228.020336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.020336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.020336 (E_RNA)
where:
Base-Base interactions energy: -159.382
where: short stacking energy: -74.318
Base-Backbone interact. energy: -0.006
local terms energy: -68.631779
where:
bonds (distance) C4'-P energy: -8.672
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -10.426
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: 10
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -183.232085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.232085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.232085 (E_RNA)
where:
Base-Base interactions energy: -111.266
where: short stacking energy: -69.413
Base-Backbone interact. energy: -0.023
local terms energy: -71.942532
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -18.675
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: 6, replica: 2
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -185.940631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.940631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.940631 (E_RNA)
where:
Base-Base interactions energy: -112.359
where: short stacking energy: -63.742
Base-Backbone interact. energy: -0.242
local terms energy: -73.339064
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -19.931
flat angles P-C4'-P energy: -4.949
tors. eta vs tors. theta energy: -16.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -104.349958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.349958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.349958 (E_RNA)
where:
Base-Base interactions energy: -41.361
where: short stacking energy: -41.220
Base-Backbone interact. energy: -0.189
local terms energy: -62.800438
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -11.157
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -9.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -94.623122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.623122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.623122 (E_RNA)
where:
Base-Base interactions energy: -48.576
where: short stacking energy: -46.988
Base-Backbone interact. energy: -0.110
local terms energy: -45.937221
where:
bonds (distance) C4'-P energy: -7.042
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -3.874
tors. eta vs tors. theta energy: -8.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -95.230283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.230283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.230283 (E_RNA)
where:
Base-Base interactions energy: -40.175
where: short stacking energy: -33.067
Base-Backbone interact. energy: -0.022
local terms energy: -55.032509
where:
bonds (distance) C4'-P energy: -11.906
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -5.510
tors. eta vs tors. theta energy: -5.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -81.273144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.273144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.273144 (E_RNA)
where:
Base-Base interactions energy: -26.012
where: short stacking energy: -19.631
Base-Backbone interact. energy: -0.357
local terms energy: -54.904719
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -5.479
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: 1, replica: 5
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -251.123570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.123570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.123570 (E_RNA)
where:
Base-Base interactions energy: -164.608
where: short stacking energy: -71.068
Base-Backbone interact. energy: -0.482
local terms energy: -86.034305
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -19.392
flat angles P-C4'-P energy: -14.192
tors. eta vs tors. theta energy: -18.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -230.226699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.226699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.226699 (E_RNA)
where:
Base-Base interactions energy: -150.774
where: short stacking energy: -63.866
Base-Backbone interact. energy: -1.698
local terms energy: -77.754567
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -18.698
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -15.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -218.746774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.746774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.746774 (E_RNA)
where:
Base-Base interactions energy: -134.708
where: short stacking energy: -58.787
Base-Backbone interact. energy: -0.030
local terms energy: -84.008493
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -19.786
flat angles C4'-P-C4' energy: -17.355
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -14.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -192.690756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.690756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.690756 (E_RNA)
where:
Base-Base interactions energy: -128.791
where: short stacking energy: -56.809
Base-Backbone interact. energy: -0.072
local terms energy: -63.827801
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -5.941
tors. eta vs tors. theta energy: -13.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -183.965937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.965937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.965937 (E_RNA)
where:
Base-Base interactions energy: -119.032
where: short stacking energy: -57.197
Base-Backbone interact. energy: -0.005
local terms energy: -64.928761
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -11.829
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -11.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -169.279218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.279218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.279218 (E_RNA)
where:
Base-Base interactions energy: -100.502
where: short stacking energy: -56.681
Base-Backbone interact. energy: -0.078
local terms energy: -68.698299
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -12.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -101.479848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.479848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.479848 (E_RNA)
where:
Base-Base interactions energy: -47.731
where: short stacking energy: -47.532
Base-Backbone interact. energy: 0.269
local terms energy: -54.017004
where:
bonds (distance) C4'-P energy: -8.205
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -11.070
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: -13.663
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: 7
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -101.030338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.030338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.030338 (E_RNA)
where:
Base-Base interactions energy: -33.238
where: short stacking energy: -27.145
Base-Backbone interact. energy: -0.614
local terms energy: -67.178909
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -9.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -87.685178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.685178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.685178 (E_RNA)
where:
Base-Base interactions energy: -30.266
where: short stacking energy: -28.547
Base-Backbone interact. energy: -0.057
local terms energy: -57.361940
where:
bonds (distance) C4'-P energy: -10.019
bonds (distance) P-C4' energy: -18.360
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -5.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -87.600395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.600395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.600395 (E_RNA)
where:
Base-Base interactions energy: -34.193
where: short stacking energy: -30.112
Base-Backbone interact. energy: 1.710
local terms energy: -55.116906
where:
bonds (distance) C4'-P energy: -17.772
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -3.264
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: 1, replica: 5
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -241.029106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.029106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.029106 (E_RNA)
where:
Base-Base interactions energy: -164.911
where: short stacking energy: -66.175
Base-Backbone interact. energy: -1.038
local terms energy: -75.080495
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -17.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -231.917219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.917219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.917219 (E_RNA)
where:
Base-Base interactions energy: -154.854
where: short stacking energy: -65.937
Base-Backbone interact. energy: -0.174
local terms energy: -76.889341
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -18.614
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -13.621
tors. eta vs tors. theta energy: -11.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -220.938933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.938933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.938933 (E_RNA)
where:
Base-Base interactions energy: -140.182
where: short stacking energy: -75.067
Base-Backbone interact. energy: -1.048
local terms energy: -79.708435
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -22.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -213.617341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.617341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.617341 (E_RNA)
where:
Base-Base interactions energy: -129.067
where: short stacking energy: -67.774
Base-Backbone interact. energy: -0.624
local terms energy: -83.926321
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -24.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -200.660819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.660819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.660819 (E_RNA)
where:
Base-Base interactions energy: -121.755
where: short stacking energy: -66.866
Base-Backbone interact. energy: -0.209
local terms energy: -78.696742
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -19.399
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -19.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -181.376078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.376078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.376078 (E_RNA)
where:
Base-Base interactions energy: -112.472
where: short stacking energy: -48.608
Base-Backbone interact. energy: -0.029
local terms energy: -68.875227
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -8.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -101.335992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.335992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.335992 (E_RNA)
where:
Base-Base interactions energy: -44.376
where: short stacking energy: -44.301
Base-Backbone interact. energy: -0.156
local terms energy: -56.803376
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: -9.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -87.441768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.441768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.441768 (E_RNA)
where:
Base-Base interactions energy: -31.991
where: short stacking energy: -28.542
Base-Backbone interact. energy: -0.038
local terms energy: -55.412662
where:
bonds (distance) C4'-P energy: -9.173
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -6.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -82.383284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.383284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.383284 (E_RNA)
where:
Base-Base interactions energy: -25.711
where: short stacking energy: -25.711
Base-Backbone interact. energy: -0.145
local terms energy: -56.528047
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -11.678
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -5.511
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: 1
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -91.564891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.564891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.564891 (E_RNA)
where:
Base-Base interactions energy: -35.952
where: short stacking energy: -35.952
Base-Backbone interact. energy: 0.361
local terms energy: -55.973796
where:
bonds (distance) C4'-P energy: -12.262
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -12.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -235.751049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.751049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.751049 (E_RNA)
where:
Base-Base interactions energy: -164.682
where: short stacking energy: -69.063
Base-Backbone interact. energy: -0.444
local terms energy: -70.625356
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -10.225
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: 2, replica: 3
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -227.941057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.941057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.941057 (E_RNA)
where:
Base-Base interactions energy: -150.080
where: short stacking energy: -61.092
Base-Backbone interact. energy: -0.234
local terms energy: -77.627653
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -19.166
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -11.744
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: 4
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -223.458830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.458830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.458830 (E_RNA)
where:
Base-Base interactions energy: -139.652
where: short stacking energy: -82.943
Base-Backbone interact. energy: -0.068
local terms energy: -83.739142
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -25.649
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: 4, replica: 8
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -217.092003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.092003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.092003 (E_RNA)
where:
Base-Base interactions energy: -129.415
where: short stacking energy: -73.392
Base-Backbone interact. energy: -0.668
local terms energy: -87.008792
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -14.405
tors. eta vs tors. theta energy: -24.670
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: 10
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -195.311981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.311981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.311981 (E_RNA)
where:
Base-Base interactions energy: -126.416
where: short stacking energy: -53.530
Base-Backbone interact. energy: -0.377
local terms energy: -68.519683
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -9.197
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: 2
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -169.214153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.214153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.214153 (E_RNA)
where:
Base-Base interactions energy: -108.171
where: short stacking energy: -62.896
Base-Backbone interact. energy: -0.144
local terms energy: -60.899166
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -10.956
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -16.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -94.350265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.350265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.350265 (E_RNA)
where:
Base-Base interactions energy: -44.124
where: short stacking energy: -29.965
Base-Backbone interact. energy: -0.347
local terms energy: -49.879629
where:
bonds (distance) C4'-P energy: -10.453
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: 1.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -103.317063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.317063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.317063 (E_RNA)
where:
Base-Base interactions energy: -45.533
where: short stacking energy: -40.715
Base-Backbone interact. energy: -0.004
local terms energy: -57.779923
where:
bonds (distance) C4'-P energy: -17.184
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -2.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -96.903853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.903853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.903853 (E_RNA)
where:
Base-Base interactions energy: -42.210
where: short stacking energy: -21.961
Base-Backbone interact. energy: 0.786
local terms energy: -55.479692
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -11.318
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -0.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -86.713658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.713658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.713658 (E_RNA)
where:
Base-Base interactions energy: -33.877
where: short stacking energy: -31.909
Base-Backbone interact. energy: -0.113
local terms energy: -52.722995
where:
bonds (distance) C4'-P energy: -9.720
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -5.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -243.019149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.019149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.019149 (E_RNA)
where:
Base-Base interactions energy: -167.944
where: short stacking energy: -68.487
Base-Backbone interact. energy: -0.324
local terms energy: -74.751289
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -14.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -229.921832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.921832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.921832 (E_RNA)
where:
Base-Base interactions energy: -151.690
where: short stacking energy: -63.364
Base-Backbone interact. energy: -0.222
local terms energy: -78.009525
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -19.074
flat angles P-C4'-P energy: -14.787
tors. eta vs tors. theta energy: -12.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -213.773907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.773907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.773907 (E_RNA)
where:
Base-Base interactions energy: -130.526
where: short stacking energy: -67.191
Base-Backbone interact. energy: -0.010
local terms energy: -83.237694
where:
bonds (distance) C4'-P energy: -17.635
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -19.130
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -20.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -244.978939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.978939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.978939 (E_RNA)
where:
Base-Base interactions energy: -171.519
where: short stacking energy: -68.456
Base-Backbone interact. energy: 0.330
local terms energy: -73.790155
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -19.567
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -11.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -197.620860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.620860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.620860 (E_RNA)
where:
Base-Base interactions energy: -121.073
where: short stacking energy: -64.496
Base-Backbone interact. energy: -0.427
local terms energy: -76.121528
where:
bonds (distance) C4'-P energy: -15.843
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -20.442
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: 6, replica: 9
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -141.028061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.028061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.028061 (E_RNA)
where:
Base-Base interactions energy: -80.007
where: short stacking energy: -47.336
Base-Backbone interact. energy: -0.106
local terms energy: -60.914768
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -11.208
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: 7, replica: 2
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -160.907150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.907150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.907150 (E_RNA)
where:
Base-Base interactions energy: -93.877
where: short stacking energy: -49.389
Base-Backbone interact. energy: -0.110
local terms energy: -66.919757
where:
bonds (distance) C4'-P energy: -7.663
bonds (distance) P-C4' energy: -18.955
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -16.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -89.555941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.555941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.555941 (E_RNA)
where:
Base-Base interactions energy: -31.491
where: short stacking energy: -27.482
Base-Backbone interact. energy: -0.441
local terms energy: -57.624136
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -6.720
tors. eta vs tors. theta energy: -4.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -83.799146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.799146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.799146 (E_RNA)
where:
Base-Base interactions energy: -31.947
where: short stacking energy: -22.658
Base-Backbone interact. energy: 1.588
local terms energy: -53.440502
where:
bonds (distance) C4'-P energy: -17.213
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -5.785
tors. eta vs tors. theta energy: 1.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -80.524878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.524878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.524878 (E_RNA)
where:
Base-Base interactions energy: -29.535
where: short stacking energy: -25.048
Base-Backbone interact. energy: -0.346
local terms energy: -50.643518
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -6.091
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: 1, replica: 5
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -241.493649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.493649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.493649 (E_RNA)
where:
Base-Base interactions energy: -168.590
where: short stacking energy: -71.375
Base-Backbone interact. energy: -0.672
local terms energy: -72.231858
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -12.028
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: 3
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -229.903289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.903289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.903289 (E_RNA)
where:
Base-Base interactions energy: -158.916
where: short stacking energy: -59.699
Base-Backbone interact. energy: -0.262
local terms energy: -70.725442
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -14.369
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -257.013716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.013716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.013716 (E_RNA)
where:
Base-Base interactions energy: -185.515
where: short stacking energy: -65.401
Base-Backbone interact. energy: -0.097
local terms energy: -71.400959
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -16.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -198.904973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.904973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.904973 (E_RNA)
where:
Base-Base interactions energy: -128.353
where: short stacking energy: -62.646
Base-Backbone interact. energy: -0.489
local terms energy: -70.062809
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -12.015
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -17.736
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: 5, replica: 8
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -191.013739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.013739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.013739 (E_RNA)
where:
Base-Base interactions energy: -121.175
where: short stacking energy: -61.108
Base-Backbone interact. energy: 2.402
local terms energy: -72.240916
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -15.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -189.879065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.879065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.879065 (E_RNA)
where:
Base-Base interactions energy: -120.665
where: short stacking energy: -60.144
Base-Backbone interact. energy: -0.004
local terms energy: -69.210820
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -20.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -153.187417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.187417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.187417 (E_RNA)
where:
Base-Base interactions energy: -92.620
where: short stacking energy: -44.486
Base-Backbone interact. energy: -0.332
local terms energy: -60.235719
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -17.641
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -7.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -103.408171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.408171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.408171 (E_RNA)
where:
Base-Base interactions energy: -37.865
where: short stacking energy: -37.356
Base-Backbone interact. energy: -0.168
local terms energy: -65.374967
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -18.456
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -9.748
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: 9, replica: 7
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -87.142149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.142149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.142149 (E_RNA)
where:
Base-Base interactions energy: -37.689
where: short stacking energy: -24.568
Base-Backbone interact. energy: -0.081
local terms energy: -49.372208
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -10.202
flat angles P-C4'-P energy: -5.524
tors. eta vs tors. theta energy: 0.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -88.294706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.294706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.294706 (E_RNA)
where:
Base-Base interactions energy: -34.480
where: short stacking energy: -23.946
Base-Backbone interact. energy: 0.291
local terms energy: -54.105511
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: 2.119
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: 1, replica: 5
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -245.646996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.646996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.646996 (E_RNA)
where:
Base-Base interactions energy: -163.178
where: short stacking energy: -74.323
Base-Backbone interact. energy: -0.427
local terms energy: -82.042666
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -18.320
flat angles C4'-P-C4' energy: -20.631
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -16.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -256.432826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.432826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.432826 (E_RNA)
where:
Base-Base interactions energy: -183.286
where: short stacking energy: -62.993
Base-Backbone interact. energy: 1.459
local terms energy: -74.605921
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -8.188
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: 3, replica: 3
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -222.978775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.978775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.978775 (E_RNA)
where:
Base-Base interactions energy: -153.148
where: short stacking energy: -63.038
Base-Backbone interact. energy: 0.154
local terms energy: -69.985641
where:
bonds (distance) C4'-P energy: -17.898
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -8.314
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: 4, replica: 8
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -196.183449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.183449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.183449 (E_RNA)
where:
Base-Base interactions energy: -121.528
where: short stacking energy: -62.657
Base-Backbone interact. energy: -1.324
local terms energy: -73.331531
where:
bonds (distance) C4'-P energy: -10.860
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -18.173
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -16.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -213.718679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.718679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.718679 (E_RNA)
where:
Base-Base interactions energy: -132.239
where: short stacking energy: -70.913
Base-Backbone interact. energy: -0.008
local terms energy: -81.471038
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: -22.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -138.830115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.830115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.830115 (E_RNA)
where:
Base-Base interactions energy: -73.207
where: short stacking energy: -44.517
Base-Backbone interact. energy: -0.045
local terms energy: -65.578784
where:
bonds (distance) C4'-P energy: -17.438
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -11.642
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -13.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -167.015044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.015044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.015044 (E_RNA)
where:
Base-Base interactions energy: -106.841
where: short stacking energy: -44.260
Base-Backbone interact. energy: -0.071
local terms energy: -60.103054
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -5.304
tors. eta vs tors. theta energy: -8.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -91.651712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.651712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.651712 (E_RNA)
where:
Base-Base interactions energy: -33.014
where: short stacking energy: -33.014
Base-Backbone interact. energy: -0.216
local terms energy: -58.421249
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -18.470
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -4.223
tors. eta vs tors. theta energy: -5.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -92.805003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.805003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.805003 (E_RNA)
where:
Base-Base interactions energy: -35.039
where: short stacking energy: -29.950
Base-Backbone interact. energy: -0.158
local terms energy: -57.607858
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -6.130
tors. eta vs tors. theta energy: -2.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -77.718125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.718125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.718125 (E_RNA)
where:
Base-Base interactions energy: -24.099
where: short stacking energy: -19.205
Base-Backbone interact. energy: -0.076
local terms energy: -53.543307
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -10.865
flat angles P-C4'-P energy: -12.914
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: 1, replica: 10
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -260.916584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.916584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.916584 (E_RNA)
where:
Base-Base interactions energy: -188.768
where: short stacking energy: -70.789
Base-Backbone interact. energy: -0.874
local terms energy: -71.274665
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -10.006
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: 2, replica: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -234.678187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.678187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.678187 (E_RNA)
where:
Base-Base interactions energy: -158.479
where: short stacking energy: -64.514
Base-Backbone interact. energy: -0.492
local terms energy: -75.707537
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -18.150
flat angles P-C4'-P energy: -11.604
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: 3, replica: 3
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -225.264835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.264835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.264835 (E_RNA)
where:
Base-Base interactions energy: -159.917
where: short stacking energy: -59.395
Base-Backbone interact. energy: -1.024
local terms energy: -64.324348
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -9.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -202.315200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.315200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.315200 (E_RNA)
where:
Base-Base interactions energy: -130.232
where: short stacking energy: -67.241
Base-Backbone interact. energy: 0.118
local terms energy: -72.201366
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -14.161
tors. eta vs tors. theta energy: -13.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -198.793495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.793495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.793495 (E_RNA)
where:
Base-Base interactions energy: -125.908
where: short stacking energy: -67.436
Base-Backbone interact. energy: -0.036
local terms energy: -72.849834
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -15.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -103.086423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.086423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.086423 (E_RNA)
where:
Base-Base interactions energy: -41.157
where: short stacking energy: -25.249
Base-Backbone interact. energy: 1.424
local terms energy: -63.353492
where:
bonds (distance) C4'-P energy: -12.830
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -7.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -196.597937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.597937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.597937 (E_RNA)
where:
Base-Base interactions energy: -131.013
where: short stacking energy: -65.270
Base-Backbone interact. energy: -0.826
local terms energy: -64.758918
where:
bonds (distance) C4'-P energy: -7.326
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -21.177
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: 7
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -86.724243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.724243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.724243 (E_RNA)
where:
Base-Base interactions energy: -34.488
where: short stacking energy: -34.488
Base-Backbone interact. energy: -0.054
local terms energy: -52.182312
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -10.847
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -2.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -86.255584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.255584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.255584 (E_RNA)
where:
Base-Base interactions energy: -40.490
where: short stacking energy: -25.756
Base-Backbone interact. energy: -0.447
local terms energy: -45.318557
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -10.639
flat angles C4'-P-C4' energy: -7.863
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -4.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -77.629335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.629335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.629335 (E_RNA)
where:
Base-Base interactions energy: -29.972
where: short stacking energy: -26.171
Base-Backbone interact. energy: -0.331
local terms energy: -47.325934
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -3.860
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: -1.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -249.275259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.275259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.275259 (E_RNA)
where:
Base-Base interactions energy: -174.882
where: short stacking energy: -69.232
Base-Backbone interact. energy: 1.101
local terms energy: -75.494443
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -18.775
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -15.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -240.769643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.769643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.769643 (E_RNA)
where:
Base-Base interactions energy: -167.662
where: short stacking energy: -71.702
Base-Backbone interact. energy: 1.162
local terms energy: -74.269394
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -11.999
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: 3, replica: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -222.876103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.876103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.876103 (E_RNA)
where:
Base-Base interactions energy: -157.944
where: short stacking energy: -68.395
Base-Backbone interact. energy: -1.581
local terms energy: -63.351617
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -13.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -202.925234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.925234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.925234 (E_RNA)
where:
Base-Base interactions energy: -128.922
where: short stacking energy: -58.035
Base-Backbone interact. energy: 1.068
local terms energy: -75.070606
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -18.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -176.366169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.366169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.366169 (E_RNA)
where:
Base-Base interactions energy: -113.943
where: short stacking energy: -53.249
Base-Backbone interact. energy: -0.200
local terms energy: -62.223785
where:
bonds (distance) C4'-P energy: -9.074
bonds (distance) P-C4' energy: -15.736
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -11.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -180.366824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.366824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.366824 (E_RNA)
where:
Base-Base interactions energy: -115.372
where: short stacking energy: -54.545
Base-Backbone interact. energy: -0.301
local terms energy: -64.693827
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -9.417
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: 7, replica: 9
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -98.284482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.284482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.284482 (E_RNA)
where:
Base-Base interactions energy: -39.191
where: short stacking energy: -36.595
Base-Backbone interact. energy: -0.118
local terms energy: -58.975688
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -4.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -96.045950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.045950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.045950 (E_RNA)
where:
Base-Base interactions energy: -38.065
where: short stacking energy: -36.207
Base-Backbone interact. energy: -0.319
local terms energy: -57.662819
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -5.279
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: 435
Temperature: 1.300000
Total energy: -88.500141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.500141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.500141 (E_RNA)
where:
Base-Base interactions energy: -32.672
where: short stacking energy: -29.633
Base-Backbone interact. energy: -0.420
local terms energy: -55.408309
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -3.606
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: 6
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -81.328310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.328310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.328310 (E_RNA)
where:
Base-Base interactions energy: -28.853
where: short stacking energy: -27.395
Base-Backbone interact. energy: 0.229
local terms energy: -52.704777
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: 1.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -255.368032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.368032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.368032 (E_RNA)
where:
Base-Base interactions energy: -183.866
where: short stacking energy: -70.139
Base-Backbone interact. energy: 0.121
local terms energy: -71.622486
where:
bonds (distance) C4'-P energy: -17.325
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -15.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -230.661213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.661213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.661213 (E_RNA)
where:
Base-Base interactions energy: -159.623
where: short stacking energy: -71.293
Base-Backbone interact. energy: -0.568
local terms energy: -70.470162
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -16.235
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: -15.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -236.476934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.476934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.476934 (E_RNA)
where:
Base-Base interactions energy: -168.543
where: short stacking energy: -64.903
Base-Backbone interact. energy: 1.481
local terms energy: -69.415430
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -9.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -202.497079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.497079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.497079 (E_RNA)
where:
Base-Base interactions energy: -126.827
where: short stacking energy: -60.994
Base-Backbone interact. energy: -0.035
local terms energy: -75.634969
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -17.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -177.186032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.186032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.186032 (E_RNA)
where:
Base-Base interactions energy: -114.585
where: short stacking energy: -54.150
Base-Backbone interact. energy: -0.236
local terms energy: -62.365366
where:
bonds (distance) C4'-P energy: -11.260
bonds (distance) P-C4' energy: -16.162
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -10.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -157.451888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.451888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.451888 (E_RNA)
where:
Base-Base interactions energy: -97.009
where: short stacking energy: -50.789
Base-Backbone interact. energy: -0.082
local terms energy: -60.361046
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -8.098
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -12.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -101.199472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.199472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.199472 (E_RNA)
where:
Base-Base interactions energy: -48.413
where: short stacking energy: -38.803
Base-Backbone interact. energy: -0.015
local terms energy: -52.771195
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -0.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -101.217509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.217509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.217509 (E_RNA)
where:
Base-Base interactions energy: -43.093
where: short stacking energy: -42.679
Base-Backbone interact. energy: 0.203
local terms energy: -58.327260
where:
bonds (distance) C4'-P energy: -8.225
bonds (distance) P-C4' energy: -17.808
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -10.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -86.049020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.049020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.049020 (E_RNA)
where:
Base-Base interactions energy: -32.848
where: short stacking energy: -30.420
Base-Backbone interact. energy: 3.082
local terms energy: -56.283302
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -15.425
flat angles C4'-P-C4' energy: -10.657
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -6.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -80.492687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.492687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.492687 (E_RNA)
where:
Base-Base interactions energy: -34.945
where: short stacking energy: -25.894
Base-Backbone interact. energy: -2.002
local terms energy: -43.546490
where:
bonds (distance) C4'-P energy: -9.538
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -9.123
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: 1, replica: 10
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -254.126399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.126399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.126399 (E_RNA)
where:
Base-Base interactions energy: -176.636
where: short stacking energy: -74.005
Base-Backbone interact. energy: -0.125
local terms energy: -77.365457
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -18.192
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -17.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -239.023091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.023091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.023091 (E_RNA)
where:
Base-Base interactions energy: -170.609
where: short stacking energy: -59.562
Base-Backbone interact. energy: -1.085
local terms energy: -67.329167
where:
bonds (distance) C4'-P energy: -17.784
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -10.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -228.111161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.111161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.111161 (E_RNA)
where:
Base-Base interactions energy: -156.124
where: short stacking energy: -68.746
Base-Backbone interact. energy: 0.434
local terms energy: -72.421292
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -15.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -201.027142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.027142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.027142 (E_RNA)
where:
Base-Base interactions energy: -127.427
where: short stacking energy: -70.405
Base-Backbone interact. energy: -0.222
local terms energy: -73.377970
where:
bonds (distance) C4'-P energy: -9.303
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -21.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -182.882248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.882248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.882248 (E_RNA)
where:
Base-Base interactions energy: -112.255
where: short stacking energy: -53.604
Base-Backbone interact. energy: -0.022
local terms energy: -70.604715
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -13.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -156.139133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.139133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.139133 (E_RNA)
where:
Base-Base interactions energy: -92.990
where: short stacking energy: -45.019
Base-Backbone interact. energy: -0.600
local terms energy: -62.548842
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -14.667
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -9.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -106.855911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.855911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.855911 (E_RNA)
where:
Base-Base interactions energy: -52.135
where: short stacking energy: -44.535
Base-Backbone interact. energy: -0.244
local terms energy: -54.477077
where:
bonds (distance) C4'-P energy: -12.958
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -9.087
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -8.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -94.166282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.166282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.166282 (E_RNA)
where:
Base-Base interactions energy: -30.107
where: short stacking energy: -23.309
Base-Backbone interact. energy: -0.025
local terms energy: -64.034309
where:
bonds (distance) C4'-P energy: -18.735
bonds (distance) P-C4' energy: -12.705
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -86.890628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.890628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.890628 (E_RNA)
where:
Base-Base interactions energy: -30.406
where: short stacking energy: -29.432
Base-Backbone interact. energy: -0.406
local terms energy: -56.078306
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -8.995
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: 437
Temperature: 1.350000
Total energy: -91.274358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.274358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.274358 (E_RNA)
where:
Base-Base interactions energy: -35.679
where: short stacking energy: -35.679
Base-Backbone interact. energy: -0.272
local terms energy: -55.323225
where:
bonds (distance) C4'-P energy: -10.221
bonds (distance) P-C4' energy: -14.718
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -5.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -244.865054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.865054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.865054 (E_RNA)
where:
Base-Base interactions energy: -167.421
where: short stacking energy: -61.664
Base-Backbone interact. energy: -0.048
local terms energy: -77.395909
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -12.981
tors. eta vs tors. theta energy: -13.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -252.833576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.833576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.833576 (E_RNA)
where:
Base-Base interactions energy: -168.720
where: short stacking energy: -73.458
Base-Backbone interact. energy: 1.296
local terms energy: -85.409933
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -20.045
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: -19.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -226.210914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.210914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.210914 (E_RNA)
where:
Base-Base interactions energy: -153.428
where: short stacking energy: -69.364
Base-Backbone interact. energy: -0.780
local terms energy: -72.002472
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -14.855
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: 4, replica: 4
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -198.356999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.356999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.356999 (E_RNA)
where:
Base-Base interactions energy: -117.817
where: short stacking energy: -62.234
Base-Backbone interact. energy: -0.004
local terms energy: -80.535075
where:
bonds (distance) C4'-P energy: -19.234
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -11.173
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: 5, replica: 2
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -200.061924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.061924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.061924 (E_RNA)
where:
Base-Base interactions energy: -119.465
where: short stacking energy: -60.324
Base-Backbone interact. energy: -2.728
local terms energy: -77.869385
where:
bonds (distance) C4'-P energy: -17.653
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -17.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -177.955250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.955250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.955250 (E_RNA)
where:
Base-Base interactions energy: -108.264
where: short stacking energy: -51.488
Base-Backbone interact. energy: -0.606
local terms energy: -69.085736
where:
bonds (distance) C4'-P energy: -16.423
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -9.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -91.853178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.853178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.853178 (E_RNA)
where:
Base-Base interactions energy: -29.648
where: short stacking energy: -29.590
Base-Backbone interact. energy: -0.206
local terms energy: -61.998926
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -18.302
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -4.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -109.117455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.117455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.117455 (E_RNA)
where:
Base-Base interactions energy: -58.157
where: short stacking energy: -46.598
Base-Backbone interact. energy: -0.037
local terms energy: -50.923791
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -8.293
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -10.058
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: 7
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -82.751200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.751200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.751200 (E_RNA)
where:
Base-Base interactions energy: -30.582
where: short stacking energy: -23.335
Base-Backbone interact. energy: -0.197
local terms energy: -51.971985
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -10.523
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: 10, replica: 9
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -81.092715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.092715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.092715 (E_RNA)
where:
Base-Base interactions energy: -44.307
where: short stacking energy: -37.581
Base-Backbone interact. energy: -0.004
local terms energy: -36.781791
where:
bonds (distance) C4'-P energy: -9.852
bonds (distance) P-C4' energy: -10.149
flat angles C4'-P-C4' energy: -9.385
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: 1.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -242.768940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.768940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.768940 (E_RNA)
where:
Base-Base interactions energy: -175.176
where: short stacking energy: -76.140
Base-Backbone interact. energy: -0.616
local terms energy: -66.977591
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -17.783
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -7.053
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: 2, replica: 10
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -254.285332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.285332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.285332 (E_RNA)
where:
Base-Base interactions energy: -180.838
where: short stacking energy: -79.295
Base-Backbone interact. energy: -0.195
local terms energy: -73.252271
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -19.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -231.866721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.866721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.866721 (E_RNA)
where:
Base-Base interactions energy: -167.582
where: short stacking energy: -75.173
Base-Backbone interact. energy: -0.242
local terms energy: -64.042150
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -10.900
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -13.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -206.754596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.754596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.754596 (E_RNA)
where:
Base-Base interactions energy: -136.298
where: short stacking energy: -57.612
Base-Backbone interact. energy: -1.321
local terms energy: -69.135177
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -18.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -181.463239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.463239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.463239 (E_RNA)
where:
Base-Base interactions energy: -104.095
where: short stacking energy: -61.674
Base-Backbone interact. energy: -0.588
local terms energy: -76.779501
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -19.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -191.445799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.445799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.445799 (E_RNA)
where:
Base-Base interactions energy: -124.920
where: short stacking energy: -52.993
Base-Backbone interact. energy: -0.309
local terms energy: -66.216268
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -13.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -105.367110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.367110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.367110 (E_RNA)
where:
Base-Base interactions energy: -37.049
where: short stacking energy: -36.563
Base-Backbone interact. energy: -0.054
local terms energy: -68.264228
where:
bonds (distance) C4'-P energy: -17.449
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -11.344
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: 8, replica: 1
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -106.971928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.971928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.971928 (E_RNA)
where:
Base-Base interactions energy: -42.590
where: short stacking energy: -42.590
Base-Backbone interact. energy: -0.037
local terms energy: -64.345321
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -9.350
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: 439
Temperature: 1.300000
Total energy: -99.261157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.261157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.261157 (E_RNA)
where:
Base-Base interactions energy: -43.526
where: short stacking energy: -37.763
Base-Backbone interact. energy: -0.003
local terms energy: -55.732159
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -6.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -74.926424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.926424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.926424 (E_RNA)
where:
Base-Base interactions energy: -26.563
where: short stacking energy: -23.656
Base-Backbone interact. energy: -1.214
local terms energy: -47.148808
where:
bonds (distance) C4'-P energy: -9.385
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -5.684
tors. eta vs tors. theta energy: -0.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -257.530992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.530992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.530992 (E_RNA)
where:
Base-Base interactions energy: -178.844
where: short stacking energy: -73.405
Base-Backbone interact. energy: -0.289
local terms energy: -78.398872
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -19.040
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -18.915
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: 3
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -225.799813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.799813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.799813 (E_RNA)
where:
Base-Base interactions energy: -159.518
where: short stacking energy: -64.074
Base-Backbone interact. energy: -0.321
local terms energy: -65.961545
where:
bonds (distance) C4'-P energy: -14.763
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -12.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -238.138941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.138941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.138941 (E_RNA)
where:
Base-Base interactions energy: -160.944
where: short stacking energy: -69.842
Base-Backbone interact. energy: -0.309
local terms energy: -76.885866
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -12.696
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: 4, replica: 2
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -208.088976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.088976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.088976 (E_RNA)
where:
Base-Base interactions energy: -127.366
where: short stacking energy: -58.898
Base-Backbone interact. energy: -0.194
local terms energy: -80.529142
where:
bonds (distance) C4'-P energy: -17.541
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -19.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -197.240448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.240448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.240448 (E_RNA)
where:
Base-Base interactions energy: -120.839
where: short stacking energy: -68.568
Base-Backbone interact. energy: -0.026
local terms energy: -76.375060
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -19.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -154.779942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.779942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.779942 (E_RNA)
where:
Base-Base interactions energy: -92.608
where: short stacking energy: -46.026
Base-Backbone interact. energy: -0.617
local terms energy: -61.555283
where:
bonds (distance) C4'-P energy: -12.403
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -6.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -113.967063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.967063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.967063 (E_RNA)
where:
Base-Base interactions energy: -56.682
where: short stacking energy: -44.434
Base-Backbone interact. energy: 0.506
local terms energy: -57.791204
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -10.273
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -7.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -93.778796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.778796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.778796 (E_RNA)
where:
Base-Base interactions energy: -32.639
where: short stacking energy: -28.411
Base-Backbone interact. energy: -0.502
local terms energy: -60.637857
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -4.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -85.105458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.105458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.105458 (E_RNA)
where:
Base-Base interactions energy: -31.862
where: short stacking energy: -29.804
Base-Backbone interact. energy: -0.065
local terms energy: -53.178397
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -14.012
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -2.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -90.744212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.744212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.744212 (E_RNA)
where:
Base-Base interactions energy: -36.602
where: short stacking energy: -33.157
Base-Backbone interact. energy: 0.373
local terms energy: -54.514876
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -16.292
flat angles C4'-P-C4' energy: -9.871
flat angles P-C4'-P energy: -9.694
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: 1, replica: 10
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -258.642406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.642406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.642406 (E_RNA)
where:
Base-Base interactions energy: -176.658
where: short stacking energy: -70.052
Base-Backbone interact. energy: 0.174
local terms energy: -82.157829
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -17.988
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -12.437
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: 2, replica: 3
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -239.244926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.244926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.244926 (E_RNA)
where:
Base-Base interactions energy: -160.139
where: short stacking energy: -65.756
Base-Backbone interact. energy: -0.261
local terms energy: -78.844528
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -18.525
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -16.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -250.144839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.144839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.144839 (E_RNA)
where:
Base-Base interactions energy: -173.289
where: short stacking energy: -72.655
Base-Backbone interact. energy: -0.472
local terms energy: -76.384211
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -18.952
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -14.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -202.336321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.336321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.336321 (E_RNA)
where:
Base-Base interactions energy: -125.327
where: short stacking energy: -68.375
Base-Backbone interact. energy: -0.991
local terms energy: -76.018564
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: -18.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -200.799146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.799146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.799146 (E_RNA)
where:
Base-Base interactions energy: -123.361
where: short stacking energy: -64.378
Base-Backbone interact. energy: -0.307
local terms energy: -77.131079
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -20.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -105.518772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.518772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.518772 (E_RNA)
where:
Base-Base interactions energy: -44.051
where: short stacking energy: -40.777
Base-Backbone interact. energy: -0.171
local terms energy: -61.296253
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -6.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -153.205373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.205373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.205373 (E_RNA)
where:
Base-Base interactions energy: -92.562
where: short stacking energy: -35.790
Base-Backbone interact. energy: 1.636
local terms energy: -62.278649
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -7.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -102.153326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.153326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.153326 (E_RNA)
where:
Base-Base interactions energy: -42.251
where: short stacking energy: -41.655
Base-Backbone interact. energy: 2.516
local terms energy: -62.418668
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -18.746
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -5.515
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: 9, replica: 9
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -110.786390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.786390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.786390 (E_RNA)
where:
Base-Base interactions energy: -51.948
where: short stacking energy: -40.311
Base-Backbone interact. energy: -0.054
local terms energy: -58.783994
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -10.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -92.160301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.160301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.160301 (E_RNA)
where:
Base-Base interactions energy: -36.182
where: short stacking energy: -36.182
Base-Backbone interact. energy: -0.113
local terms energy: -55.865760
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -11.054
flat angles P-C4'-P energy: -5.447
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: 1, replica: 10
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -251.139007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.139007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.139007 (E_RNA)
where:
Base-Base interactions energy: -172.113
where: short stacking energy: -75.566
Base-Backbone interact. energy: -0.132
local terms energy: -78.893129
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -19.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -235.978102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.978102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.978102 (E_RNA)
where:
Base-Base interactions energy: -161.740
where: short stacking energy: -64.881
Base-Backbone interact. energy: -1.174
local terms energy: -73.064441
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -14.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -240.210321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.210321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.210321 (E_RNA)
where:
Base-Base interactions energy: -162.433
where: short stacking energy: -70.118
Base-Backbone interact. energy: -0.316
local terms energy: -77.460548
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -15.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -189.833497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.833497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.833497 (E_RNA)
where:
Base-Base interactions energy: -118.047
where: short stacking energy: -54.525
Base-Backbone interact. energy: -0.136
local terms energy: -71.650874
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -15.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -201.199699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.199699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.199699 (E_RNA)
where:
Base-Base interactions energy: -124.376
where: short stacking energy: -61.856
Base-Backbone interact. energy: -0.033
local terms energy: -76.790020
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -12.349
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: 6, replica: 6
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -113.120910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.120910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.120910 (E_RNA)
where:
Base-Base interactions energy: -50.512
where: short stacking energy: -46.263
Base-Backbone interact. energy: -0.071
local terms energy: -62.537619
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -8.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -152.498819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.498819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.498819 (E_RNA)
where:
Base-Base interactions energy: -91.512
where: short stacking energy: -49.150
Base-Backbone interact. energy: -0.349
local terms energy: -60.638463
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -5.276
tors. eta vs tors. theta energy: -12.088
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: 1
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -99.130453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.130453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.130453 (E_RNA)
where:
Base-Base interactions energy: -45.464
where: short stacking energy: -32.289
Base-Backbone interact. energy: 0.785
local terms energy: -54.451881
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -6.831
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: 9, replica: 9
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -74.914245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.914245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.914245 (E_RNA)
where:
Base-Base interactions energy: -22.074
where: short stacking energy: -19.020
Base-Backbone interact. energy: -0.329
local terms energy: -52.511506
where:
bonds (distance) C4'-P energy: -10.992
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -18.610
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: 2.215
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: 7
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -78.410226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.410226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.410226 (E_RNA)
where:
Base-Base interactions energy: -22.679
where: short stacking energy: -22.679
Base-Backbone interact. energy: -0.205
local terms energy: -55.526367
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -11.370
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -5.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -250.895805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.895805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.895805 (E_RNA)
where:
Base-Base interactions energy: -172.344
where: short stacking energy: -72.313
Base-Backbone interact. energy: -0.199
local terms energy: -78.353227
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -19.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -237.028734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.028734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.028734 (E_RNA)
where:
Base-Base interactions energy: -164.774
where: short stacking energy: -76.621
Base-Backbone interact. energy: -0.656
local terms energy: -71.598189
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -11.736
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: 3, replica: 3
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -220.803594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.803594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.803594 (E_RNA)
where:
Base-Base interactions energy: -152.171
where: short stacking energy: -63.673
Base-Backbone interact. energy: 0.009
local terms energy: -68.641645
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -18.794
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -10.271
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: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -193.695179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.695179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.695179 (E_RNA)
where:
Base-Base interactions energy: -120.045
where: short stacking energy: -69.096
Base-Backbone interact. energy: -0.101
local terms energy: -73.548616
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -11.048
flat angles C4'-P-C4' energy: -21.186
flat angles P-C4'-P energy: -8.262
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: 5, replica: 8
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -169.115499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.115499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.115499 (E_RNA)
where:
Base-Base interactions energy: -102.553
where: short stacking energy: -62.380
Base-Backbone interact. energy: -0.674
local terms energy: -65.888498
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -6.164
tors. eta vs tors. theta energy: -15.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -146.540186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.540186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.540186 (E_RNA)
where:
Base-Base interactions energy: -79.635
where: short stacking energy: -47.730
Base-Backbone interact. energy: -0.465
local terms energy: -66.440712
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -7.161
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: 7, replica: 6
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -102.003820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.003820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.003820 (E_RNA)
where:
Base-Base interactions energy: -53.372
where: short stacking energy: -40.455
Base-Backbone interact. energy: -0.082
local terms energy: -48.549807
where:
bonds (distance) C4'-P energy: -9.968
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -1.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -93.790591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.790591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.790591 (E_RNA)
where:
Base-Base interactions energy: -34.402
where: short stacking energy: -29.976
Base-Backbone interact. energy: -0.114
local terms energy: -59.274847
where:
bonds (distance) C4'-P energy: -16.141
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -2.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -85.758789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.758789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.758789 (E_RNA)
where:
Base-Base interactions energy: -30.749
where: short stacking energy: -30.508
Base-Backbone interact. energy: 0.664
local terms energy: -55.673419
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -5.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -89.605300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.605300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.605300 (E_RNA)
where:
Base-Base interactions energy: -45.446
where: short stacking energy: -25.065
Base-Backbone interact. energy: -0.445
local terms energy: -43.713746
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: 1.194
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: 5
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -248.778470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.778470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.778470 (E_RNA)
where:
Base-Base interactions energy: -172.118
where: short stacking energy: -71.817
Base-Backbone interact. energy: 0.475
local terms energy: -77.135203
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -19.898
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -16.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -254.070473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.070473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.070473 (E_RNA)
where:
Base-Base interactions energy: -175.493
where: short stacking energy: -67.656
Base-Backbone interact. energy: -0.259
local terms energy: -78.318281
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -16.772
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -18.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -227.721285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.721285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.721285 (E_RNA)
where:
Base-Base interactions energy: -156.942
where: short stacking energy: -58.236
Base-Backbone interact. energy: -0.019
local terms energy: -70.761111
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -15.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -205.716412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.716412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.716412 (E_RNA)
where:
Base-Base interactions energy: -128.380
where: short stacking energy: -66.013
Base-Backbone interact. energy: -0.204
local terms energy: -77.131548
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -17.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -164.467326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.467326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.467326 (E_RNA)
where:
Base-Base interactions energy: -97.852
where: short stacking energy: -63.042
Base-Backbone interact. energy: -0.065
local terms energy: -66.550419
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -11.446
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -16.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -157.727244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.727244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.727244 (E_RNA)
where:
Base-Base interactions energy: -93.319
where: short stacking energy: -50.770
Base-Backbone interact. energy: 2.830
local terms energy: -67.238497
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -7.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -105.614867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.614867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.614867 (E_RNA)
where:
Base-Base interactions energy: -48.025
where: short stacking energy: -41.170
Base-Backbone interact. energy: -1.005
local terms energy: -56.584354
where:
bonds (distance) C4'-P energy: -10.530
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -12.911
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: -10.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -87.051675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.051675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.051675 (E_RNA)
where:
Base-Base interactions energy: -29.603
where: short stacking energy: -24.601
Base-Backbone interact. energy: -0.161
local terms energy: -57.288375
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -19.322
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: 0.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -83.375094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.375094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.375094 (E_RNA)
where:
Base-Base interactions energy: -33.777
where: short stacking energy: -31.717
Base-Backbone interact. energy: -0.081
local terms energy: -49.517021
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -10.542
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -3.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -75.971191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.971191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.971191 (E_RNA)
where:
Base-Base interactions energy: -23.496
where: short stacking energy: -23.300
Base-Backbone interact. energy: -0.098
local terms energy: -52.377047
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -10.185
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -2.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -243.683558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.683558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.683558 (E_RNA)
where:
Base-Base interactions energy: -169.689
where: short stacking energy: -70.427
Base-Backbone interact. energy: -0.567
local terms energy: -73.427896
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -16.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -237.654874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.654874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.654874 (E_RNA)
where:
Base-Base interactions energy: -163.339
where: short stacking energy: -73.602
Base-Backbone interact. energy: -0.535
local terms energy: -73.780874
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -13.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -255.853777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.853777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.853777 (E_RNA)
where:
Base-Base interactions energy: -178.560
where: short stacking energy: -71.851
Base-Backbone interact. energy: -0.258
local terms energy: -77.035771
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -17.226
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -20.382
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: 2
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -210.425636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.425636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.425636 (E_RNA)
where:
Base-Base interactions energy: -127.200
where: short stacking energy: -65.795
Base-Backbone interact. energy: -0.386
local terms energy: -82.839512
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -20.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -176.472328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.472328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.472328 (E_RNA)
where:
Base-Base interactions energy: -107.320
where: short stacking energy: -43.762
Base-Backbone interact. energy: -0.480
local terms energy: -68.672408
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -18.689
flat angles P-C4'-P energy: -11.601
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: 8
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -166.210556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.210556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.210556 (E_RNA)
where:
Base-Base interactions energy: -95.367
where: short stacking energy: -54.094
Base-Backbone interact. energy: -0.159
local terms energy: -70.684985
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -14.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -103.416303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.416303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.416303 (E_RNA)
where:
Base-Base interactions energy: -45.521
where: short stacking energy: -33.593
Base-Backbone interact. energy: -0.006
local terms energy: -57.889870
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -7.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -102.107475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.107475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.107475 (E_RNA)
where:
Base-Base interactions energy: -50.441
where: short stacking energy: -43.042
Base-Backbone interact. energy: -0.970
local terms energy: -50.696251
where:
bonds (distance) C4'-P energy: -6.751
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -5.656
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: 9
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -90.473825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.473825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.473825 (E_RNA)
where:
Base-Base interactions energy: -28.238
where: short stacking energy: -22.748
Base-Backbone interact. energy: 0.536
local terms energy: -62.771716
where:
bonds (distance) C4'-P energy: -9.899
bonds (distance) P-C4' energy: -19.654
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -15.797
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: 10, replica: 7
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -88.318823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.318823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.318823 (E_RNA)
where:
Base-Base interactions energy: -39.903
where: short stacking energy: -39.722
Base-Backbone interact. energy: -0.180
local terms energy: -48.235396
where:
bonds (distance) C4'-P energy: -8.560
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -3.960
tors. eta vs tors. theta energy: -7.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -235.064280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.064280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.064280 (E_RNA)
where:
Base-Base interactions energy: -158.925
where: short stacking energy: -66.131
Base-Backbone interact. energy: -0.751
local terms energy: -75.388629
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -14.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -234.829978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.829978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.829978 (E_RNA)
where:
Base-Base interactions energy: -156.224
where: short stacking energy: -69.742
Base-Backbone interact. energy: -0.413
local terms energy: -78.192859
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -13.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -246.093992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.093992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.093992 (E_RNA)
where:
Base-Base interactions energy: -167.918
where: short stacking energy: -74.819
Base-Backbone interact. energy: 2.236
local terms energy: -80.412178
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -19.567
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -9.072
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: 2
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -196.552548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.552548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.552548 (E_RNA)
where:
Base-Base interactions energy: -121.712
where: short stacking energy: -62.483
Base-Backbone interact. energy: -0.176
local terms energy: -74.665300
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -20.417
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: 5, replica: 8
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -146.225330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.225330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.225330 (E_RNA)
where:
Base-Base interactions energy: -78.911
where: short stacking energy: -50.142
Base-Backbone interact. energy: 1.377
local terms energy: -68.692034
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -13.131
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: 6, replica: 4
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -161.374364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.374364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.374364 (E_RNA)
where:
Base-Base interactions energy: -99.706
where: short stacking energy: -42.128
Base-Backbone interact. energy: -0.185
local terms energy: -61.482724
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -7.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -115.197193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.197193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.197193 (E_RNA)
where:
Base-Base interactions energy: -53.400
where: short stacking energy: -35.439
Base-Backbone interact. energy: -0.157
local terms energy: -61.640187
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -0.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -95.242815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.242815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.242815 (E_RNA)
where:
Base-Base interactions energy: -28.805
where: short stacking energy: -28.805
Base-Backbone interact. energy: -0.164
local terms energy: -66.274357
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -14.220
tors. eta vs tors. theta energy: -2.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -78.394236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.394236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.394236 (E_RNA)
where:
Base-Base interactions energy: -32.899
where: short stacking energy: -27.237
Base-Backbone interact. energy: -0.492
local terms energy: -45.003426
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: 0.726
tors. eta vs tors. theta energy: -1.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -82.750668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.750668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.750668 (E_RNA)
where:
Base-Base interactions energy: -35.832
where: short stacking energy: -27.134
Base-Backbone interact. energy: 0.371
local terms energy: -47.289032
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -8.756
flat angles P-C4'-P energy: -3.903
tors. eta vs tors. theta energy: -5.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -243.886967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.886967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.886967 (E_RNA)
where:
Base-Base interactions energy: -158.467
where: short stacking energy: -68.761
Base-Backbone interact. energy: -0.556
local terms energy: -84.864288
where:
bonds (distance) C4'-P energy: -18.539
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -20.363
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -16.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -241.205151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.205151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.205151 (E_RNA)
where:
Base-Base interactions energy: -167.754
where: short stacking energy: -68.224
Base-Backbone interact. energy: -0.059
local terms energy: -73.392381
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -15.965
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: 3
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -232.268050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.268050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.268050 (E_RNA)
where:
Base-Base interactions energy: -167.215
where: short stacking energy: -67.655
Base-Backbone interact. energy: 1.441
local terms energy: -66.494595
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -9.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -194.798547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.798547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.798547 (E_RNA)
where:
Base-Base interactions energy: -123.956
where: short stacking energy: -58.966
Base-Backbone interact. energy: -0.257
local terms energy: -70.586056
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -9.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -106.849192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.849192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.849192 (E_RNA)
where:
Base-Base interactions energy: -47.916
where: short stacking energy: -34.995
Base-Backbone interact. energy: -0.565
local terms energy: -58.368058
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -1.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -170.879011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.879011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.879011 (E_RNA)
where:
Base-Base interactions energy: -103.906
where: short stacking energy: -59.413
Base-Backbone interact. energy: 0.908
local terms energy: -67.880653
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -10.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -88.195313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.195313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.195313 (E_RNA)
where:
Base-Base interactions energy: -36.209
where: short stacking energy: -15.588
Base-Backbone interact. energy: -0.348
local terms energy: -51.638005
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: 3.810
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: 7
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -93.542059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.542059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.542059 (E_RNA)
where:
Base-Base interactions energy: -35.511
where: short stacking energy: -32.650
Base-Backbone interact. energy: -0.174
local terms energy: -57.856660
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -6.537
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: 9, replica: 6
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -98.413710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.413710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.413710 (E_RNA)
where:
Base-Base interactions energy: -49.164
where: short stacking energy: -47.344
Base-Backbone interact. energy: 3.191
local terms energy: -52.441205
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -9.349
flat angles C4'-P-C4' energy: -10.045
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -10.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -90.994727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.994727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.994727 (E_RNA)
where:
Base-Base interactions energy: -37.187
where: short stacking energy: -31.612
Base-Backbone interact. energy: -1.849
local terms energy: -51.958809
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -7.565
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -2.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -236.642913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.642913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.642913 (E_RNA)
where:
Base-Base interactions energy: -165.566
where: short stacking energy: -63.727
Base-Backbone interact. energy: -0.203
local terms energy: -70.874659
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -14.673
tors. eta vs tors. theta energy: -11.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -240.021683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.021683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.021683 (E_RNA)
where:
Base-Base interactions energy: -172.504
where: short stacking energy: -78.932
Base-Backbone interact. energy: -0.128
local terms energy: -67.389882
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -5.220
tors. eta vs tors. theta energy: -19.457
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: 3, replica: 3
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -236.203035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.203035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.203035 (E_RNA)
where:
Base-Base interactions energy: -154.299
where: short stacking energy: -65.089
Base-Backbone interact. energy: -0.036
local terms energy: -81.868211
where:
bonds (distance) C4'-P energy: -16.319
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -18.468
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -16.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -178.946396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.946396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.946396 (E_RNA)
where:
Base-Base interactions energy: -112.980
where: short stacking energy: -56.908
Base-Backbone interact. energy: -1.130
local terms energy: -64.836137
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -10.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -179.380011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.380011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.380011 (E_RNA)
where:
Base-Base interactions energy: -105.363
where: short stacking energy: -58.439
Base-Backbone interact. energy: -0.016
local terms energy: -74.000189
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -16.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -105.781276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.781276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.781276 (E_RNA)
where:
Base-Base interactions energy: -43.035
where: short stacking energy: -43.035
Base-Backbone interact. energy: -0.042
local terms energy: -62.704216
where:
bonds (distance) C4'-P energy: -17.846
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -9.143
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: 7, replica: 1
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -93.995609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.995609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.995609 (E_RNA)
where:
Base-Base interactions energy: -32.473
where: short stacking energy: -31.670
Base-Backbone interact. energy: -0.076
local terms energy: -61.445840
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -17.578
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -91.380626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.380626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.380626 (E_RNA)
where:
Base-Base interactions energy: -36.164
where: short stacking energy: -32.716
Base-Backbone interact. energy: 0.357
local terms energy: -55.573022
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -3.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -99.234429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.234429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.234429 (E_RNA)
where:
Base-Base interactions energy: -51.422
where: short stacking energy: -28.181
Base-Backbone interact. energy: -0.824
local terms energy: -46.988416
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -11.282
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -1.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -84.881127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.881127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.881127 (E_RNA)
where:
Base-Base interactions energy: -36.221
where: short stacking energy: -29.673
Base-Backbone interact. energy: -0.446
local terms energy: -48.214322
where:
bonds (distance) C4'-P energy: -11.215
bonds (distance) P-C4' energy: -18.986
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -2.478
tors. eta vs tors. theta energy: -1.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -234.177042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.177042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.177042 (E_RNA)
where:
Base-Base interactions energy: -163.857
where: short stacking energy: -70.867
Base-Backbone interact. energy: 0.242
local terms energy: -70.561791
where:
bonds (distance) C4'-P energy: -10.532
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -13.853
tors. eta vs tors. theta energy: -13.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -238.821042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.821042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.821042 (E_RNA)
where:
Base-Base interactions energy: -163.324
where: short stacking energy: -69.232
Base-Backbone interact. energy: -0.342
local terms energy: -75.154913
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -12.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -235.058493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.058493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.058493 (E_RNA)
where:
Base-Base interactions energy: -160.371
where: short stacking energy: -77.425
Base-Backbone interact. energy: -0.358
local terms energy: -74.329652
where:
bonds (distance) C4'-P energy: -13.293
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -21.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -199.039118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.039118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.039118 (E_RNA)
where:
Base-Base interactions energy: -127.142
where: short stacking energy: -69.138
Base-Backbone interact. energy: -0.293
local terms energy: -71.604479
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -18.914
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: 4
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -163.790497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.790497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.790497 (E_RNA)
where:
Base-Base interactions energy: -92.901
where: short stacking energy: -54.590
Base-Backbone interact. energy: -0.078
local terms energy: -70.811402
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -17.564
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: 449
Temperature: 1.150000
Total energy: -106.465212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.465212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.465212 (E_RNA)
where:
Base-Base interactions energy: -43.834
where: short stacking energy: -33.444
Base-Backbone interact. energy: -0.015
local terms energy: -62.616208
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -17.686
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -10.949
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: 7, replica: 8
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -102.694707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.694707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.694707 (E_RNA)
where:
Base-Base interactions energy: -49.808
where: short stacking energy: -46.591
Base-Backbone interact. energy: -0.360
local terms energy: -52.525929
where:
bonds (distance) C4'-P energy: -5.536
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -11.135
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -8.172
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: 9
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -97.871994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.871994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.871994 (E_RNA)
where:
Base-Base interactions energy: -47.667
where: short stacking energy: -32.046
Base-Backbone interact. energy: -0.857
local terms energy: -49.347865
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -19.380
flat angles C4'-P-C4' energy: -10.207
flat angles P-C4'-P energy: 1.671
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: 449
Temperature: 1.300000
Total energy: -91.913347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.913347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.913347 (E_RNA)
where:
Base-Base interactions energy: -37.987
where: short stacking energy: -23.090
Base-Backbone interact. energy: -0.201
local terms energy: -53.724527
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -4.837
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: 10, replica: 6
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -99.563539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.563539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.563539 (E_RNA)
where:
Base-Base interactions energy: -38.177
where: short stacking energy: -32.042
Base-Backbone interact. energy: 0.286
local terms energy: -61.672988
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -6.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -236.723846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.723846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.723846 (E_RNA)
where:
Base-Base interactions energy: -160.750
where: short stacking energy: -63.198
Base-Backbone interact. energy: -1.096
local terms energy: -74.877576
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -10.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -231.218174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.218174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.218174 (E_RNA)
where:
Base-Base interactions energy: -161.900
where: short stacking energy: -64.491
Base-Backbone interact. energy: 1.399
local terms energy: -70.717640
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -15.556
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -14.135
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: 10
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -237.595775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.595775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.595775 (E_RNA)
where:
Base-Base interactions energy: -162.232
where: short stacking energy: -72.337
Base-Backbone interact. energy: -0.520
local terms energy: -74.843798
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -20.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -201.389398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.389398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.389398 (E_RNA)
where:
Base-Base interactions energy: -126.682
where: short stacking energy: -65.943
Base-Backbone interact. energy: -0.626
local terms energy: -74.081865
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -20.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -125.530854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.530854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.530854 (E_RNA)
where:
Base-Base interactions energy: -60.343
where: short stacking energy: -49.750
Base-Backbone interact. energy: -0.130
local terms energy: -65.057615
where:
bonds (distance) C4'-P energy: -10.216
bonds (distance) P-C4' energy: -16.245
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -13.296
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: 4
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -143.338578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.338578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.338578 (E_RNA)
where:
Base-Base interactions energy: -83.599
where: short stacking energy: -44.839
Base-Backbone interact. energy: 0.313
local terms energy: -60.053105
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -7.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -97.486538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.486538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.486538 (E_RNA)
where:
Base-Base interactions energy: -42.361
where: short stacking energy: -27.688
Base-Backbone interact. energy: 0.435
local terms energy: -55.560806
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -5.762
tors. eta vs tors. theta energy: -3.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -94.994790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.994790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.994790 (E_RNA)
where:
Base-Base interactions energy: -39.877
where: short stacking energy: -34.634
Base-Backbone interact. energy: -0.036
local terms energy: -55.082728
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -5.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -97.371038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.371038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.371038 (E_RNA)
where:
Base-Base interactions energy: -52.571
where: short stacking energy: -36.122
Base-Backbone interact. energy: 0.544
local terms energy: -45.343893
where:
bonds (distance) C4'-P energy: -10.887
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -6.169
tors. eta vs tors. theta energy: -2.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -87.938526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.938526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.938526 (E_RNA)
where:
Base-Base interactions energy: -35.968
where: short stacking energy: -35.968
Base-Backbone interact. energy: -0.138
local terms energy: -51.832841
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -1.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -239.342370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.342370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.342370 (E_RNA)
where:
Base-Base interactions energy: -163.795
where: short stacking energy: -69.556
Base-Backbone interact. energy: -0.538
local terms energy: -75.008614
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -12.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -249.485041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.485041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.485041 (E_RNA)
where:
Base-Base interactions energy: -161.255
where: short stacking energy: -73.213
Base-Backbone interact. energy: -0.891
local terms energy: -87.338586
where:
bonds (distance) C4'-P energy: -18.790
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -22.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -225.385356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.385356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.385356 (E_RNA)
where:
Base-Base interactions energy: -149.934
where: short stacking energy: -74.544
Base-Backbone interact. energy: -0.314
local terms energy: -75.137150
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -14.967
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: 2
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -183.700871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.700871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.700871 (E_RNA)
where:
Base-Base interactions energy: -114.627
where: short stacking energy: -66.664
Base-Backbone interact. energy: -0.014
local terms energy: -69.059593
where:
bonds (distance) C4'-P energy: -15.748
bonds (distance) P-C4' energy: -9.898
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -18.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -108.722609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.722609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.722609 (E_RNA)
where:
Base-Base interactions energy: -38.432
where: short stacking energy: -35.669
Base-Backbone interact. energy: -0.175
local terms energy: -70.115657
where:
bonds (distance) C4'-P energy: -17.635
bonds (distance) P-C4' energy: -19.657
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -4.318
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: 4
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -157.694075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.694075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.694075 (E_RNA)
where:
Base-Base interactions energy: -90.392
where: short stacking energy: -49.702
Base-Backbone interact. energy: -0.161
local terms energy: -67.140897
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -17.053
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -11.765
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: 9
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -105.413071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.413071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.413071 (E_RNA)
where:
Base-Base interactions energy: -43.459
where: short stacking energy: -37.606
Base-Backbone interact. energy: -0.437
local terms energy: -61.517476
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -13.025
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: 8, replica: 6
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -100.046102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.046102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.046102 (E_RNA)
where:
Base-Base interactions energy: -44.158
where: short stacking energy: -42.693
Base-Backbone interact. energy: -0.006
local terms energy: -55.882211
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -5.460
tors. eta vs tors. theta energy: -8.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -97.778392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.778392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.778392 (E_RNA)
where:
Base-Base interactions energy: -28.800
where: short stacking energy: -27.465
Base-Backbone interact. energy: -0.134
local terms energy: -68.843938
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -4.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -83.291308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.291308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.291308 (E_RNA)
where:
Base-Base interactions energy: -34.656
where: short stacking energy: -33.936
Base-Backbone interact. energy: -0.287
local terms energy: -48.347804
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -3.713
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: 1, replica: 10
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -248.159747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.159747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.159747 (E_RNA)
where:
Base-Base interactions energy: -165.308
where: short stacking energy: -79.249
Base-Backbone interact. energy: -1.705
local terms energy: -81.147367
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -10.656
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: 2, replica: 3
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -230.113116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.113116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.113116 (E_RNA)
where:
Base-Base interactions energy: -158.732
where: short stacking energy: -72.797
Base-Backbone interact. energy: 0.581
local terms energy: -71.963040
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -13.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -230.023177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.023177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.023177 (E_RNA)
where:
Base-Base interactions energy: -156.805
where: short stacking energy: -67.541
Base-Backbone interact. energy: -0.953
local terms energy: -72.265204
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -17.829
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -16.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -207.270561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.270561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.270561 (E_RNA)
where:
Base-Base interactions energy: -127.731
where: short stacking energy: -69.723
Base-Backbone interact. energy: -0.021
local terms energy: -79.518072
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -18.180
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -21.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -171.180664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.180664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.180664 (E_RNA)
where:
Base-Base interactions energy: -104.879
where: short stacking energy: -60.128
Base-Backbone interact. energy: -0.196
local terms energy: -66.105215
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -1.140
tors. eta vs tors. theta energy: -16.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -125.484903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.484903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.484903 (E_RNA)
where:
Base-Base interactions energy: -59.273
where: short stacking energy: -42.266
Base-Backbone interact. energy: -0.130
local terms energy: -66.081501
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -6.180
tors. eta vs tors. theta energy: -12.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -103.701115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.701115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.701115 (E_RNA)
where:
Base-Base interactions energy: -47.826
where: short stacking energy: -30.983
Base-Backbone interact. energy: -0.816
local terms energy: -55.059713
where:
bonds (distance) C4'-P energy: -9.801
bonds (distance) P-C4' energy: -18.144
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -5.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -103.735877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.735877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.735877 (E_RNA)
where:
Base-Base interactions energy: -50.390
where: short stacking energy: -35.618
Base-Backbone interact. energy: 0.798
local terms energy: -54.143890
where:
bonds (distance) C4'-P energy: -11.828
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -4.647
tors. eta vs tors. theta energy: -4.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -104.111433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.111433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.111433 (E_RNA)
where:
Base-Base interactions energy: -47.904
where: short stacking energy: -40.349
Base-Backbone interact. energy: -0.031
local terms energy: -56.176480
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -7.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -90.277676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.277676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.277676 (E_RNA)
where:
Base-Base interactions energy: -41.021
where: short stacking energy: -34.578
Base-Backbone interact. energy: -0.421
local terms energy: -48.835501
where:
bonds (distance) C4'-P energy: -9.078
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -1.341
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: 1, replica: 10
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -240.261303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.261303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.261303 (E_RNA)
where:
Base-Base interactions energy: -161.891
where: short stacking energy: -75.967
Base-Backbone interact. energy: -1.245
local terms energy: -77.124774
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -239.574643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.574643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.574643 (E_RNA)
where:
Base-Base interactions energy: -168.253
where: short stacking energy: -69.403
Base-Backbone interact. energy: -0.409
local terms energy: -70.913323
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -14.498
tors. eta vs tors. theta energy: -13.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -227.532748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.532748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.532748 (E_RNA)
where:
Base-Base interactions energy: -155.325
where: short stacking energy: -64.567
Base-Backbone interact. energy: -0.132
local terms energy: -72.075561
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -14.624
tors. eta vs tors. theta energy: -9.486
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: 4
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -175.047418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.047418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.047418 (E_RNA)
where:
Base-Base interactions energy: -114.934
where: short stacking energy: -56.107
Base-Backbone interact. energy: -0.380
local terms energy: -59.733286
where:
bonds (distance) C4'-P energy: -8.258
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -9.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -211.640851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.640851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.640851 (E_RNA)
where:
Base-Base interactions energy: -132.730
where: short stacking energy: -70.688
Base-Backbone interact. energy: -0.679
local terms energy: -78.231572
where:
bonds (distance) C4'-P energy: -18.033
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -20.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -132.421856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.421856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.421856 (E_RNA)
where:
Base-Base interactions energy: -81.531
where: short stacking energy: -34.836
Base-Backbone interact. energy: -0.220
local terms energy: -50.671156
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -3.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -101.250199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.250199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.250199 (E_RNA)
where:
Base-Base interactions energy: -48.656
where: short stacking energy: -32.253
Base-Backbone interact. energy: -0.999
local terms energy: -51.595063
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -1.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -92.305634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.305634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.305634 (E_RNA)
where:
Base-Base interactions energy: -35.767
where: short stacking energy: -35.767
Base-Backbone interact. energy: -0.020
local terms energy: -56.518446
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -17.870
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -6.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -81.245059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.245059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.245059 (E_RNA)
where:
Base-Base interactions energy: -33.423
where: short stacking energy: -28.289
Base-Backbone interact. energy: -0.109
local terms energy: -47.713459
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -5.228
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: 10, replica: 8
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -93.269175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.269175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.269175 (E_RNA)
where:
Base-Base interactions energy: -36.825
where: short stacking energy: -32.878
Base-Backbone interact. energy: -0.388
local terms energy: -56.055562
where:
bonds (distance) C4'-P energy: -12.444
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -0.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -254.231287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.231287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.231287 (E_RNA)
where:
Base-Base interactions energy: -177.305
where: short stacking energy: -75.602
Base-Backbone interact. energy: -0.830
local terms energy: -76.096194
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -19.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -234.289265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.289265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.289265 (E_RNA)
where:
Base-Base interactions energy: -165.410
where: short stacking energy: -74.333
Base-Backbone interact. energy: -0.358
local terms energy: -68.521066
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -16.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -184.538388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.538388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.538388 (E_RNA)
where:
Base-Base interactions energy: -115.820
where: short stacking energy: -61.126
Base-Backbone interact. energy: 0.480
local terms energy: -69.198523
where:
bonds (distance) C4'-P energy: -12.958
bonds (distance) P-C4' energy: -18.999
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -9.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -222.185465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.185465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.185465 (E_RNA)
where:
Base-Base interactions energy: -153.623
where: short stacking energy: -59.131
Base-Backbone interact. energy: -0.810
local terms energy: -67.752607
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -17.321
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -12.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -184.835139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.835139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.835139 (E_RNA)
where:
Base-Base interactions energy: -115.219
where: short stacking energy: -56.910
Base-Backbone interact. energy: -0.395
local terms energy: -69.221277
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -14.540
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: 454
Temperature: 1.150000
Total energy: -161.230949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.230949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.230949 (E_RNA)
where:
Base-Base interactions energy: -99.669
where: short stacking energy: -38.422
Base-Backbone interact. energy: 0.164
local terms energy: -61.725352
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -4.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -111.464892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.464892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.464892 (E_RNA)
where:
Base-Base interactions energy: -47.097
where: short stacking energy: -39.196
Base-Backbone interact. energy: -0.760
local terms energy: -63.608609
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -12.157
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: 8, replica: 1
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -99.071347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.071347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.071347 (E_RNA)
where:
Base-Base interactions energy: -40.246
where: short stacking energy: -39.693
Base-Backbone interact. energy: 0.901
local terms energy: -59.725934
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -7.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -78.936582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.936582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.936582 (E_RNA)
where:
Base-Base interactions energy: -35.037
where: short stacking energy: -31.216
Base-Backbone interact. energy: 0.990
local terms energy: -44.890105
where:
bonds (distance) C4'-P energy: -6.141
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: 0.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -81.772627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.772627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.772627 (E_RNA)
where:
Base-Base interactions energy: -23.657
where: short stacking energy: -21.399
Base-Backbone interact. energy: -0.241
local terms energy: -57.875030
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -19.053
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: 0.188
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: 10
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -248.603404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.603404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.603404 (E_RNA)
where:
Base-Base interactions energy: -168.106
where: short stacking energy: -70.642
Base-Backbone interact. energy: -0.690
local terms energy: -79.806478
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -17.820
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -20.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -236.115843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.115843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.115843 (E_RNA)
where:
Base-Base interactions energy: -163.739
where: short stacking energy: -67.572
Base-Backbone interact. energy: -0.757
local terms energy: -71.620109
where:
bonds (distance) C4'-P energy: -18.013
bonds (distance) P-C4' energy: -17.321
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -14.576
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: 4
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -172.198747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.198747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.198747 (E_RNA)
where:
Base-Base interactions energy: -115.040
where: short stacking energy: -50.057
Base-Backbone interact. energy: -0.459
local terms energy: -56.700214
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -6.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -217.410522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.410522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.410522 (E_RNA)
where:
Base-Base interactions energy: -151.520
where: short stacking energy: -66.491
Base-Backbone interact. energy: -0.583
local terms energy: -65.307864
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -18.026
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -9.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -177.679355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.679355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.679355 (E_RNA)
where:
Base-Base interactions energy: -107.407
where: short stacking energy: -50.706
Base-Backbone interact. energy: -0.834
local terms energy: -69.438483
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -12.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -167.909091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.909091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.909091 (E_RNA)
where:
Base-Base interactions energy: -104.868
where: short stacking energy: -42.013
Base-Backbone interact. energy: -0.770
local terms energy: -62.270315
where:
bonds (distance) C4'-P energy: -15.446
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -4.075
tors. eta vs tors. theta energy: -11.756
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: 455
Temperature: 1.200000
Total energy: -110.584228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.584228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.584228 (E_RNA)
where:
Base-Base interactions energy: -49.501
where: short stacking energy: -35.450
Base-Backbone interact. energy: -0.178
local terms energy: -60.905384
where:
bonds (distance) C4'-P energy: -15.843
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -5.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -86.666000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.666000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.666000 (E_RNA)
where:
Base-Base interactions energy: -27.178
where: short stacking energy: -27.036
Base-Backbone interact. energy: 0.458
local terms energy: -59.945949
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: 0.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -89.896106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.896106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.896106 (E_RNA)
where:
Base-Base interactions energy: -35.308
where: short stacking energy: -34.378
Base-Backbone interact. energy: -0.079
local terms energy: -54.509121
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -4.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -80.043264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.043264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.043264 (E_RNA)
where:
Base-Base interactions energy: -28.181
where: short stacking energy: -28.181
Base-Backbone interact. energy: -0.128
local terms energy: -51.734323
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -15.137
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -5.617
tors. eta vs tors. theta energy: -3.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -245.429283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.429283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.429283 (E_RNA)
where:
Base-Base interactions energy: -164.160
where: short stacking energy: -68.271
Base-Backbone interact. energy: 0.067
local terms energy: -81.335618
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -19.061
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -15.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -241.882906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.882906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.882906 (E_RNA)
where:
Base-Base interactions energy: -157.128
where: short stacking energy: -69.900
Base-Backbone interact. energy: 0.041
local terms energy: -84.795651
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -18.754
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -20.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -228.473101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.473101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.473101 (E_RNA)
where:
Base-Base interactions energy: -162.722
where: short stacking energy: -69.117
Base-Backbone interact. energy: -1.294
local terms energy: -64.456422
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -18.120
flat angles C4'-P-C4' energy: -9.181
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -12.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -201.062776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.062776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.062776 (E_RNA)
where:
Base-Base interactions energy: -137.291
where: short stacking energy: -65.171
Base-Backbone interact. energy: -0.354
local terms energy: -63.418588
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -8.228
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -19.170
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: 2
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -195.260373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.260373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.260373 (E_RNA)
where:
Base-Base interactions energy: -120.688
where: short stacking energy: -61.435
Base-Backbone interact. energy: -0.110
local terms energy: -74.462539
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -17.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -183.329546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.329546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.329546 (E_RNA)
where:
Base-Base interactions energy: -119.354
where: short stacking energy: -59.335
Base-Backbone interact. energy: 0.081
local terms energy: -64.056304
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -15.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -98.102212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.102212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.102212 (E_RNA)
where:
Base-Base interactions energy: -47.065
where: short stacking energy: -24.034
Base-Backbone interact. energy: 0.639
local terms energy: -51.676968
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -9.208
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: 8, replica: 7
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -92.375274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.375274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.375274 (E_RNA)
where:
Base-Base interactions energy: -39.491
where: short stacking energy: -30.642
Base-Backbone interact. energy: -0.195
local terms energy: -52.688749
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -15.721
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -4.795
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: 9
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -79.659963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.659963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.659963 (E_RNA)
where:
Base-Base interactions energy: -24.291
where: short stacking energy: -20.255
Base-Backbone interact. energy: 0.279
local terms energy: -55.647872
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -9.769
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -1.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -80.904327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.904327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.904327 (E_RNA)
where:
Base-Base interactions energy: -24.554
where: short stacking energy: -21.675
Base-Backbone interact. energy: -0.213
local terms energy: -56.137201
where:
bonds (distance) C4'-P energy: -12.531
bonds (distance) P-C4' energy: -18.568
flat angles C4'-P-C4' energy: -10.251
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -2.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -239.424685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.424685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.424685 (E_RNA)
where:
Base-Base interactions energy: -160.601
where: short stacking energy: -75.484
Base-Backbone interact. energy: -1.158
local terms energy: -77.665662
where:
bonds (distance) C4'-P energy: -17.465
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -18.423
flat angles P-C4'-P energy: -8.317
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: 2, replica: 3
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -235.974796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.974796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.974796 (E_RNA)
where:
Base-Base interactions energy: -163.238
where: short stacking energy: -68.112
Base-Backbone interact. energy: 0.167
local terms energy: -72.903695
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -16.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -231.754607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.754607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.754607 (E_RNA)
where:
Base-Base interactions energy: -152.804
where: short stacking energy: -71.791
Base-Backbone interact. energy: -1.334
local terms energy: -77.617202
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -16.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -215.089760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.089760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.089760 (E_RNA)
where:
Base-Base interactions energy: -145.464
where: short stacking energy: -70.225
Base-Backbone interact. energy: -0.358
local terms energy: -69.267814
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -11.279
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -18.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -184.938208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.938208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.938208 (E_RNA)
where:
Base-Base interactions energy: -116.028
where: short stacking energy: -52.540
Base-Backbone interact. energy: -0.974
local terms energy: -67.936957
where:
bonds (distance) C4'-P energy: -18.700
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -10.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -173.553023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.553023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.553023 (E_RNA)
where:
Base-Base interactions energy: -104.143
where: short stacking energy: -53.056
Base-Backbone interact. energy: -0.231
local terms energy: -69.178869
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -13.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -107.572486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.572486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.572486 (E_RNA)
where:
Base-Base interactions energy: -50.715
where: short stacking energy: -39.324
Base-Backbone interact. energy: -0.319
local terms energy: -56.538783
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -3.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -87.019447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.019447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.019447 (E_RNA)
where:
Base-Base interactions energy: -37.327
where: short stacking energy: -28.858
Base-Backbone interact. energy: 0.168
local terms energy: -49.860979
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -9.791
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -4.657
tors. eta vs tors. theta energy: -8.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -95.133506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.133506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.133506 (E_RNA)
where:
Base-Base interactions energy: -50.788
where: short stacking energy: -28.645
Base-Backbone interact. energy: -0.853
local terms energy: -43.493101
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -0.143
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: 8
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -77.274779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.274779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.274779 (E_RNA)
where:
Base-Base interactions energy: -28.882
where: short stacking energy: -19.830
Base-Backbone interact. energy: 0.059
local terms energy: -48.451216
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -9.125
flat angles C4'-P-C4' energy: -18.312
flat angles P-C4'-P energy: -6.932
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: 5
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -242.427944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.427944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.427944 (E_RNA)
where:
Base-Base interactions energy: -160.172
where: short stacking energy: -69.391
Base-Backbone interact. energy: -1.005
local terms energy: -81.251036
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -16.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -246.184108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.184108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.184108 (E_RNA)
where:
Base-Base interactions energy: -174.955
where: short stacking energy: -70.825
Base-Backbone interact. energy: -0.203
local terms energy: -71.025778
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -13.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -237.440583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.440583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.440583 (E_RNA)
where:
Base-Base interactions energy: -156.568
where: short stacking energy: -73.981
Base-Backbone interact. energy: -0.193
local terms energy: -80.679781
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -14.108
tors. eta vs tors. theta energy: -19.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -226.410120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.410120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.410120 (E_RNA)
where:
Base-Base interactions energy: -157.241
where: short stacking energy: -69.002
Base-Backbone interact. energy: -0.372
local terms energy: -68.797664
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -7.100
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: 5, replica: 2
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -176.552293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.552293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.552293 (E_RNA)
where:
Base-Base interactions energy: -112.424
where: short stacking energy: -55.478
Base-Backbone interact. energy: 0.079
local terms energy: -64.208004
where:
bonds (distance) C4'-P energy: -18.218
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -8.128
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -11.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -163.938963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.938963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.938963 (E_RNA)
where:
Base-Base interactions energy: -93.638
where: short stacking energy: -51.081
Base-Backbone interact. energy: -0.001
local terms energy: -70.300107
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -14.372
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: 7
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -89.401325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.401325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.401325 (E_RNA)
where:
Base-Base interactions energy: -38.664
where: short stacking energy: -38.664
Base-Backbone interact. energy: 0.339
local terms energy: -51.076110
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -8.590
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -4.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -96.213818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.213818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.213818 (E_RNA)
where:
Base-Base interactions energy: -44.846
where: short stacking energy: -45.046
Base-Backbone interact. energy: -0.076
local terms energy: -51.291580
where:
bonds (distance) C4'-P energy: -8.153
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -6.029
tors. eta vs tors. theta energy: -9.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -91.480972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.480972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.480972 (E_RNA)
where:
Base-Base interactions energy: -42.308
where: short stacking energy: -24.007
Base-Backbone interact. energy: 0.064
local terms energy: -49.237224
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -13.942
flat angles C4'-P-C4' energy: -9.848
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: 0.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -88.506484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.506484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.506484 (E_RNA)
where:
Base-Base interactions energy: -42.998
where: short stacking energy: -19.670
Base-Backbone interact. energy: -0.115
local terms energy: -45.394045
where:
bonds (distance) C4'-P energy: -2.801
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -3.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -235.307643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.307643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.307643 (E_RNA)
where:
Base-Base interactions energy: -162.289
where: short stacking energy: -73.230
Base-Backbone interact. energy: -0.592
local terms energy: -72.426308
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -16.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -238.269344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.269344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.269344 (E_RNA)
where:
Base-Base interactions energy: -162.307
where: short stacking energy: -65.984
Base-Backbone interact. energy: -0.901
local terms energy: -75.061179
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -19.070
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: -12.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -243.681826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.681826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.681826 (E_RNA)
where:
Base-Base interactions energy: -159.177
where: short stacking energy: -69.584
Base-Backbone interact. energy: -0.159
local terms energy: -84.346592
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -21.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -228.523533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.523533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.523533 (E_RNA)
where:
Base-Base interactions energy: -154.330
where: short stacking energy: -67.096
Base-Backbone interact. energy: -0.380
local terms energy: -73.812662
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -16.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -188.510825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.510825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.510825 (E_RNA)
where:
Base-Base interactions energy: -115.029
where: short stacking energy: -69.349
Base-Backbone interact. energy: -0.079
local terms energy: -73.403079
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -11.378
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: 6, replica: 7
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -116.286281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.286281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.286281 (E_RNA)
where:
Base-Base interactions energy: -66.545
where: short stacking energy: -36.769
Base-Backbone interact. energy: -0.019
local terms energy: -49.721924
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -11.104
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -5.780
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: 7, replica: 6
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -135.523804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.523804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.523804 (E_RNA)
where:
Base-Base interactions energy: -75.181
where: short stacking energy: -39.581
Base-Backbone interact. energy: -1.446
local terms energy: -58.896448
where:
bonds (distance) C4'-P energy: -12.540
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -9.697
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: 8, replica: 8
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -87.558713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.558713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.558713 (E_RNA)
where:
Base-Base interactions energy: -36.637
where: short stacking energy: -36.637
Base-Backbone interact. energy: -0.010
local terms energy: -50.911725
where:
bonds (distance) C4'-P energy: -17.085
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: 0.435
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: 1
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -91.883926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.883926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.883926 (E_RNA)
where:
Base-Base interactions energy: -33.854
where: short stacking energy: -29.581
Base-Backbone interact. energy: -0.258
local terms energy: -57.771539
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -9.816
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -1.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -86.360274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.360274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.360274 (E_RNA)
where:
Base-Base interactions energy: -30.211
where: short stacking energy: -25.200
Base-Backbone interact. energy: -0.027
local terms energy: -56.122498
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -9.219
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -4.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -229.584848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.584848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.584848 (E_RNA)
where:
Base-Base interactions energy: -152.850
where: short stacking energy: -65.731
Base-Backbone interact. energy: -0.414
local terms energy: -76.320824
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -18.614
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -13.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -233.951559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.951559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.951559 (E_RNA)
where:
Base-Base interactions energy: -163.485
where: short stacking energy: -60.416
Base-Backbone interact. energy: -0.610
local terms energy: -69.856332
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -18.284
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -11.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -239.511903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.511903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.511903 (E_RNA)
where:
Base-Base interactions energy: -163.523
where: short stacking energy: -70.092
Base-Backbone interact. energy: -0.309
local terms energy: -75.679375
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -16.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -238.680519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.680519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.680519 (E_RNA)
where:
Base-Base interactions energy: -166.135
where: short stacking energy: -67.327
Base-Backbone interact. energy: -0.325
local terms energy: -72.220517
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -6.042
tors. eta vs tors. theta energy: -19.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -112.140434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.140434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.140434 (E_RNA)
where:
Base-Base interactions energy: -58.917
where: short stacking energy: -47.676
Base-Backbone interact. energy: -0.202
local terms energy: -53.020846
where:
bonds (distance) C4'-P energy: -8.167
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -5.371
tors. eta vs tors. theta energy: -9.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -206.287081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.287081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.287081 (E_RNA)
where:
Base-Base interactions energy: -130.382
where: short stacking energy: -66.251
Base-Backbone interact. energy: -0.096
local terms energy: -75.808585
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -13.724
flat angles C4'-P-C4' energy: -18.552
flat angles P-C4'-P energy: -7.449
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: 7, replica: 8
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -94.740259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.740259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.740259 (E_RNA)
where:
Base-Base interactions energy: -42.705
where: short stacking energy: -40.886
Base-Backbone interact. energy: -0.305
local terms energy: -51.730933
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -8.495
flat angles P-C4'-P energy: -9.801
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: 8, replica: 6
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -132.227177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.227177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.227177 (E_RNA)
where:
Base-Base interactions energy: -66.341
where: short stacking energy: -33.459
Base-Backbone interact. energy: -0.097
local terms energy: -65.789117
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -14.749
tors. eta vs tors. theta energy: -2.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -83.421089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.421089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.421089 (E_RNA)
where:
Base-Base interactions energy: -37.964
where: short stacking energy: -19.976
Base-Backbone interact. energy: -0.099
local terms energy: -45.357932
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -5.502
tors. eta vs tors. theta energy: 5.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -94.039116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.039116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.039116 (E_RNA)
where:
Base-Base interactions energy: -31.605
where: short stacking energy: -28.649
Base-Backbone interact. energy: -1.028
local terms energy: -61.406257
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -5.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -242.954268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.954268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.954268 (E_RNA)
where:
Base-Base interactions energy: -163.908
where: short stacking energy: -69.180
Base-Backbone interact. energy: 0.814
local terms energy: -79.859960
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -18.768
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -16.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -244.998032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.998032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.998032 (E_RNA)
where:
Base-Base interactions energy: -175.746
where: short stacking energy: -70.260
Base-Backbone interact. energy: -0.257
local terms energy: -68.994804
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -16.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -225.592450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.592450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.592450 (E_RNA)
where:
Base-Base interactions energy: -154.087
where: short stacking energy: -59.576
Base-Backbone interact. energy: -0.631
local terms energy: -70.874506
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -13.840
tors. eta vs tors. theta energy: -12.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -230.047420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.047420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.047420 (E_RNA)
where:
Base-Base interactions energy: -167.122
where: short stacking energy: -70.645
Base-Backbone interact. energy: -0.179
local terms energy: -62.746430
where:
bonds (distance) C4'-P energy: -10.094
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -11.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -126.542015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.542015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.542015 (E_RNA)
where:
Base-Base interactions energy: -59.363
where: short stacking energy: -50.107
Base-Backbone interact. energy: -0.194
local terms energy: -66.984743
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -11.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -175.532722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.532722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.532722 (E_RNA)
where:
Base-Base interactions energy: -101.465
where: short stacking energy: -50.273
Base-Backbone interact. energy: -0.102
local terms energy: -73.965370
where:
bonds (distance) C4'-P energy: -17.047
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -17.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -98.997222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.997222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.997222 (E_RNA)
where:
Base-Base interactions energy: -48.136
where: short stacking energy: -27.807
Base-Backbone interact. energy: -0.171
local terms energy: -50.690018
where:
bonds (distance) C4'-P energy: -10.586
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: 0.422
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: 9
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -103.914086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.914086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.914086 (E_RNA)
where:
Base-Base interactions energy: -42.712
where: short stacking energy: -39.007
Base-Backbone interact. energy: -0.123
local terms energy: -61.079124
where:
bonds (distance) C4'-P energy: -19.350
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -6.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -83.321242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.321242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.321242 (E_RNA)
where:
Base-Base interactions energy: -33.431
where: short stacking energy: -32.753
Base-Backbone interact. energy: 0.569
local terms energy: -50.459063
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -2.164
tors. eta vs tors. theta energy: -2.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -82.918115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.918115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.918115 (E_RNA)
where:
Base-Base interactions energy: -31.697
where: short stacking energy: -31.697
Base-Backbone interact. energy: -0.270
local terms energy: -50.951025
where:
bonds (distance) C4'-P energy: -10.594
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -4.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -247.385035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.385035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.385035 (E_RNA)
where:
Base-Base interactions energy: -175.731
where: short stacking energy: -71.549
Base-Backbone interact. energy: 0.109
local terms energy: -71.762440
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -14.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -232.757047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.757047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.757047 (E_RNA)
where:
Base-Base interactions energy: -158.596
where: short stacking energy: -68.320
Base-Backbone interact. energy: 2.288
local terms energy: -76.449326
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -19.028
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -14.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -223.551449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.551449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.551449 (E_RNA)
where:
Base-Base interactions energy: -151.735
where: short stacking energy: -60.492
Base-Backbone interact. energy: -0.453
local terms energy: -71.362600
where:
bonds (distance) C4'-P energy: -11.228
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -18.754
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -14.113
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: 3
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -228.640809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.640809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.640809 (E_RNA)
where:
Base-Base interactions energy: -154.924
where: short stacking energy: -57.922
Base-Backbone interact. energy: -0.044
local terms energy: -73.672334
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -15.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -206.847712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.847712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.847712 (E_RNA)
where:
Base-Base interactions energy: -130.972
where: short stacking energy: -72.484
Base-Backbone interact. energy: -0.139
local terms energy: -75.737420
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -13.385
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -11.319
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: 6, replica: 7
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -111.602321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.602321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.602321 (E_RNA)
where:
Base-Base interactions energy: -60.428
where: short stacking energy: -35.812
Base-Backbone interact. energy: -0.943
local terms energy: -50.230925
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -4.037
tors. eta vs tors. theta energy: -0.751
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: 462
Temperature: 1.200000
Total energy: -109.201976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.201976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.201976 (E_RNA)
where:
Base-Base interactions energy: -48.605
where: short stacking energy: -45.003
Base-Backbone interact. energy: -0.277
local terms energy: -60.319486
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -9.161
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: 8, replica: 8
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -104.204755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.204755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.204755 (E_RNA)
where:
Base-Base interactions energy: -41.437
where: short stacking energy: -33.604
Base-Backbone interact. energy: -0.664
local terms energy: -62.103754
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -10.018
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: 9, replica: 1
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -88.450056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.450056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.450056 (E_RNA)
where:
Base-Base interactions energy: -28.028
where: short stacking energy: -28.028
Base-Backbone interact. energy: -0.199
local terms energy: -60.222637
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -7.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -87.943095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.943095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.943095 (E_RNA)
where:
Base-Base interactions energy: -33.954
where: short stacking energy: -33.954
Base-Backbone interact. energy: -0.131
local terms energy: -53.858713
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -9.888
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -4.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -246.674340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.674340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.674340 (E_RNA)
where:
Base-Base interactions energy: -170.990
where: short stacking energy: -74.537
Base-Backbone interact. energy: -0.135
local terms energy: -75.549180
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -14.808
tors. eta vs tors. theta energy: -16.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -237.396440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.396440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.396440 (E_RNA)
where:
Base-Base interactions energy: -166.737
where: short stacking energy: -68.109
Base-Backbone interact. energy: -0.652
local terms energy: -70.007338
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -16.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -229.930281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.930281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.930281 (E_RNA)
where:
Base-Base interactions energy: -154.236
where: short stacking energy: -62.220
Base-Backbone interact. energy: -0.913
local terms energy: -74.780333
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -12.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -220.859521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.859521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.859521 (E_RNA)
where:
Base-Base interactions energy: -151.573
where: short stacking energy: -64.480
Base-Backbone interact. energy: -0.059
local terms energy: -69.227283
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -15.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -195.247900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.247900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.247900 (E_RNA)
where:
Base-Base interactions energy: -126.548
where: short stacking energy: -60.655
Base-Backbone interact. energy: -0.370
local terms energy: -68.329739
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -16.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -108.521714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.521714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.521714 (E_RNA)
where:
Base-Base interactions energy: -57.131
where: short stacking energy: -42.154
Base-Backbone interact. energy: 0.619
local terms energy: -52.009689
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -3.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -95.248242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.248242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.248242 (E_RNA)
where:
Base-Base interactions energy: -33.482
where: short stacking energy: -31.179
Base-Backbone interact. energy: -0.276
local terms energy: -61.490242
where:
bonds (distance) C4'-P energy: -17.271
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -4.725
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: 1
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -94.738562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.738562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.738562 (E_RNA)
where:
Base-Base interactions energy: -31.756
where: short stacking energy: -31.321
Base-Backbone interact. energy: -0.235
local terms energy: -62.748097
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -3.573
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: 8
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -100.589687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.589687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.589687 (E_RNA)
where:
Base-Base interactions energy: -42.711
where: short stacking energy: -39.507
Base-Backbone interact. energy: -0.019
local terms energy: -57.859133
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -9.726
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -10.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -95.494910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.494910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.494910 (E_RNA)
where:
Base-Base interactions energy: -39.001
where: short stacking energy: -39.001
Base-Backbone interact. energy: -0.098
local terms energy: -56.395658
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -6.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -244.455646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.455646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.455646 (E_RNA)
where:
Base-Base interactions energy: -170.990
where: short stacking energy: -68.401
Base-Backbone interact. energy: -0.224
local terms energy: -73.240888
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -11.856
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: 2, replica: 4
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -230.104700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.104700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.104700 (E_RNA)
where:
Base-Base interactions energy: -160.487
where: short stacking energy: -58.839
Base-Backbone interact. energy: -0.510
local terms energy: -69.107569
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -10.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -225.109140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.109140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.109140 (E_RNA)
where:
Base-Base interactions energy: -149.095
where: short stacking energy: -69.805
Base-Backbone interact. energy: -0.862
local terms energy: -75.152176
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -19.126
flat angles P-C4'-P energy: -10.131
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: 4, replica: 5
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -201.051631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.051631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.051631 (E_RNA)
where:
Base-Base interactions energy: -134.626
where: short stacking energy: -50.902
Base-Backbone interact. energy: 1.474
local terms energy: -67.899690
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -10.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -189.751902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.751902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.751902 (E_RNA)
where:
Base-Base interactions energy: -117.499
where: short stacking energy: -60.119
Base-Backbone interact. energy: -0.275
local terms energy: -71.977842
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -13.122
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: 6, replica: 7
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -110.899501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.899501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.899501 (E_RNA)
where:
Base-Base interactions energy: -56.335
where: short stacking energy: -29.910
Base-Backbone interact. energy: -0.675
local terms energy: -53.890004
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -5.464
tors. eta vs tors. theta energy: -3.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -89.176169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.176169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.176169 (E_RNA)
where:
Base-Base interactions energy: -32.577
where: short stacking energy: -28.762
Base-Backbone interact. energy: 0.489
local terms energy: -57.088105
where:
bonds (distance) C4'-P energy: -16.448
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -17.559
flat angles P-C4'-P energy: -5.050
tors. eta vs tors. theta energy: -5.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -95.213950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.213950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.213950 (E_RNA)
where:
Base-Base interactions energy: -36.317
where: short stacking energy: -28.592
Base-Backbone interact. energy: -0.364
local terms energy: -58.532397
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -7.152
tors. eta vs tors. theta energy: -5.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -86.088711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.088711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.088711 (E_RNA)
where:
Base-Base interactions energy: -26.536
where: short stacking energy: -22.691
Base-Backbone interact. energy: -1.869
local terms energy: -57.684122
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -19.617
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -0.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -85.190935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.190935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.190935 (E_RNA)
where:
Base-Base interactions energy: -31.837
where: short stacking energy: -31.837
Base-Backbone interact. energy: -0.143
local terms energy: -53.211337
where:
bonds (distance) C4'-P energy: -10.760
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -7.410
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: 1, replica: 10
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -239.051545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.051545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.051545 (E_RNA)
where:
Base-Base interactions energy: -171.505
where: short stacking energy: -68.541
Base-Backbone interact. energy: -0.199
local terms energy: -67.347407
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -13.875
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: 2, replica: 3
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -242.670123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.670123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.670123 (E_RNA)
where:
Base-Base interactions energy: -166.552
where: short stacking energy: -66.681
Base-Backbone interact. energy: -1.308
local terms energy: -74.810497
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -14.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -220.480088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.480088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.480088 (E_RNA)
where:
Base-Base interactions energy: -146.672
where: short stacking energy: -65.516
Base-Backbone interact. energy: -0.390
local terms energy: -73.418385
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -16.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -206.597551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.597551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.597551 (E_RNA)
where:
Base-Base interactions energy: -132.361
where: short stacking energy: -58.332
Base-Backbone interact. energy: -0.167
local terms energy: -74.069394
where:
bonds (distance) C4'-P energy: -18.497
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -13.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -214.177143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.177143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.177143 (E_RNA)
where:
Base-Base interactions energy: -136.775
where: short stacking energy: -74.726
Base-Backbone interact. energy: -0.016
local terms energy: -77.386685
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -8.999
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -21.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -108.678336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.678336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.678336 (E_RNA)
where:
Base-Base interactions energy: -42.895
where: short stacking energy: -38.285
Base-Backbone interact. energy: -0.520
local terms energy: -65.262953
where:
bonds (distance) C4'-P energy: -11.704
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -18.865
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -9.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -91.700699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.700699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.700699 (E_RNA)
where:
Base-Base interactions energy: -41.586
where: short stacking energy: -33.646
Base-Backbone interact. energy: -0.351
local terms energy: -49.763429
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -2.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -83.499638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.499638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.499638 (E_RNA)
where:
Base-Base interactions energy: -40.864
where: short stacking energy: -27.348
Base-Backbone interact. energy: -0.180
local terms energy: -42.455961
where:
bonds (distance) C4'-P energy: -7.450
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -4.103
tors. eta vs tors. theta energy: -0.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -94.750911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.750911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.750911 (E_RNA)
where:
Base-Base interactions energy: -40.108
where: short stacking energy: -39.187
Base-Backbone interact. energy: -0.070
local terms energy: -54.573195
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -4.490
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: 10, replica: 8
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -79.485042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.485042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.485042 (E_RNA)
where:
Base-Base interactions energy: -28.094
where: short stacking energy: -27.704
Base-Backbone interact. energy: -0.178
local terms energy: -51.213510
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: 1.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -238.952895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.952895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.952895 (E_RNA)
where:
Base-Base interactions energy: -163.206
where: short stacking energy: -68.884
Base-Backbone interact. energy: -0.384
local terms energy: -75.362534
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -16.512
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: 10
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -230.489047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.489047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.489047 (E_RNA)
where:
Base-Base interactions energy: -158.299
where: short stacking energy: -62.446
Base-Backbone interact. energy: -0.221
local terms energy: -71.969288
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -12.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -226.486648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.486648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.486648 (E_RNA)
where:
Base-Base interactions energy: -157.354
where: short stacking energy: -72.337
Base-Backbone interact. energy: 1.870
local terms energy: -71.002583
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -14.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -231.576641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.576641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.576641 (E_RNA)
where:
Base-Base interactions energy: -161.916
where: short stacking energy: -68.640
Base-Backbone interact. energy: -0.348
local terms energy: -69.313197
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -10.726
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -12.913
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: 2
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -216.038706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.038706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.038706 (E_RNA)
where:
Base-Base interactions energy: -139.319
where: short stacking energy: -74.152
Base-Backbone interact. energy: -0.148
local terms energy: -76.571591
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -22.357
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: 9
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -93.784884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.784884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.784884 (E_RNA)
where:
Base-Base interactions energy: -31.637
where: short stacking energy: -31.627
Base-Backbone interact. energy: -0.305
local terms energy: -61.842693
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -10.246
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -5.818
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: 6
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -91.558056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.558056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.558056 (E_RNA)
where:
Base-Base interactions energy: -39.284
where: short stacking energy: -23.406
Base-Backbone interact. energy: -0.125
local terms energy: -52.149211
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -9.888
flat angles C4'-P-C4' energy: -10.735
flat angles P-C4'-P energy: -10.836
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: 8, replica: 7
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -119.329168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.329168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.329168 (E_RNA)
where:
Base-Base interactions energy: -54.452
where: short stacking energy: -36.126
Base-Backbone interact. energy: -0.643
local terms energy: -64.234096
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -18.965
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -5.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -91.286328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.286328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.286328 (E_RNA)
where:
Base-Base interactions energy: -31.008
where: short stacking energy: -31.008
Base-Backbone interact. energy: -0.146
local terms energy: -60.132615
where:
bonds (distance) C4'-P energy: -10.520
bonds (distance) P-C4' energy: -17.772
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -15.203
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: 10, replica: 1
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -78.569223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.569223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.569223 (E_RNA)
where:
Base-Base interactions energy: -29.415
where: short stacking energy: -26.960
Base-Backbone interact. energy: -1.269
local terms energy: -47.885006
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -16.130
flat angles C4'-P-C4' energy: -6.659
flat angles P-C4'-P energy: -5.598
tors. eta vs tors. theta energy: -3.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -239.523966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.523966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.523966 (E_RNA)
where:
Base-Base interactions energy: -165.576
where: short stacking energy: -69.837
Base-Backbone interact. energy: -1.500
local terms energy: -72.448916
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -13.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -237.347555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.347555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.347555 (E_RNA)
where:
Base-Base interactions energy: -162.191
where: short stacking energy: -60.774
Base-Backbone interact. energy: -0.302
local terms energy: -74.854603
where:
bonds (distance) C4'-P energy: -18.584
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -13.288
tors. eta vs tors. theta energy: -11.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -232.666169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.666169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.666169 (E_RNA)
where:
Base-Base interactions energy: -168.342
where: short stacking energy: -69.234
Base-Backbone interact. energy: -0.365
local terms energy: -63.958424
where:
bonds (distance) C4'-P energy: -12.072
bonds (distance) P-C4' energy: -10.888
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -8.548
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: 4, replica: 5
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -230.790382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.790382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.790382 (E_RNA)
where:
Base-Base interactions energy: -159.399
where: short stacking energy: -70.729
Base-Backbone interact. energy: -1.484
local terms energy: -69.907935
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -17.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -169.832955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.832955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.832955 (E_RNA)
where:
Base-Base interactions energy: -103.329
where: short stacking energy: -46.285
Base-Backbone interact. energy: 0.135
local terms energy: -66.638534
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -10.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -119.701215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.701215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.701215 (E_RNA)
where:
Base-Base interactions energy: -60.809
where: short stacking energy: -48.827
Base-Backbone interact. energy: -1.009
local terms energy: -57.883501
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -11.008
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: 7, replica: 6
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -117.598403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.598403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.598403 (E_RNA)
where:
Base-Base interactions energy: -56.662
where: short stacking energy: -42.097
Base-Backbone interact. energy: -0.483
local terms energy: -60.453560
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -11.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -97.275083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.275083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.275083 (E_RNA)
where:
Base-Base interactions energy: -33.421
where: short stacking energy: -33.072
Base-Backbone interact. energy: 0.604
local terms energy: -64.458178
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -1.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -90.249986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.249986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.249986 (E_RNA)
where:
Base-Base interactions energy: -36.180
where: short stacking energy: -21.580
Base-Backbone interact. energy: -0.293
local terms energy: -53.776823
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -9.074
flat angles P-C4'-P energy: -2.344
tors. eta vs tors. theta energy: -9.227
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: 1
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -92.307594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.307594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.307594 (E_RNA)
where:
Base-Base interactions energy: -35.511
where: short stacking energy: -23.227
Base-Backbone interact. energy: -1.149
local terms energy: -55.647815
where:
bonds (distance) C4'-P energy: -16.468
bonds (distance) P-C4' energy: -13.062
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -12.230
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: 1, replica: 4
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -241.789445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.789445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.789445 (E_RNA)
where:
Base-Base interactions energy: -164.106
where: short stacking energy: -63.876
Base-Backbone interact. energy: -0.555
local terms energy: -77.128491
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -16.419
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -16.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -246.999935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.999935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.999935 (E_RNA)
where:
Base-Base interactions energy: -166.470
where: short stacking energy: -67.581
Base-Backbone interact. energy: -1.889
local terms energy: -78.641467
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -14.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -234.732072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.732072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.732072 (E_RNA)
where:
Base-Base interactions energy: -162.810
where: short stacking energy: -65.487
Base-Backbone interact. energy: -0.044
local terms energy: -71.877999
where:
bonds (distance) C4'-P energy: -10.292
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -16.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -212.476656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.476656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.476656 (E_RNA)
where:
Base-Base interactions energy: -144.022
where: short stacking energy: -67.900
Base-Backbone interact. energy: -0.635
local terms energy: -67.819852
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -14.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -167.830243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.830243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.830243 (E_RNA)
where:
Base-Base interactions energy: -108.505
where: short stacking energy: -53.631
Base-Backbone interact. energy: -0.086
local terms energy: -59.239255
where:
bonds (distance) C4'-P energy: -11.587
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -11.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -104.337292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.337292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.337292 (E_RNA)
where:
Base-Base interactions energy: -42.703
where: short stacking energy: -42.703
Base-Backbone interact. energy: 0.411
local terms energy: -62.045141
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -2.273
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: 7, replica: 8
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -98.181737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.181737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.181737 (E_RNA)
where:
Base-Base interactions energy: -38.321
where: short stacking energy: -38.321
Base-Backbone interact. energy: 0.440
local terms energy: -60.300916
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -6.769
tors. eta vs tors. theta energy: -8.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -98.871350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.871350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.871350 (E_RNA)
where:
Base-Base interactions energy: -50.025
where: short stacking energy: -27.765
Base-Backbone interact. energy: -0.892
local terms energy: -47.954183
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -0.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -133.295462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.295462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.295462 (E_RNA)
where:
Base-Base interactions energy: -80.518
where: short stacking energy: -34.999
Base-Backbone interact. energy: -0.663
local terms energy: -52.114668
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -16.363
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -5.051
tors. eta vs tors. theta energy: -6.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -81.582718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.582718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.582718 (E_RNA)
where:
Base-Base interactions energy: -30.170
where: short stacking energy: -32.470
Base-Backbone interact. energy: -0.021
local terms energy: -51.391866
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -3.985
tors. eta vs tors. theta energy: -4.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -241.701769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.701769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.701769 (E_RNA)
where:
Base-Base interactions energy: -169.336
where: short stacking energy: -63.132
Base-Backbone interact. energy: -0.567
local terms energy: -71.798351
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -13.710
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: 2, replica: 10
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -239.281783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.281783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.281783 (E_RNA)
where:
Base-Base interactions energy: -164.669
where: short stacking energy: -66.169
Base-Backbone interact. energy: -0.311
local terms energy: -74.302173
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -234.201092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.201092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.201092 (E_RNA)
where:
Base-Base interactions energy: -164.229
where: short stacking energy: -71.964
Base-Backbone interact. energy: -0.394
local terms energy: -69.577715
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -10.235
flat angles C4'-P-C4' energy: -19.336
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -17.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -191.845195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.845195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.845195 (E_RNA)
where:
Base-Base interactions energy: -116.760
where: short stacking energy: -62.562
Base-Backbone interact. energy: -0.785
local terms energy: -74.299827
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -16.031
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: 5, replica: 5
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -221.173539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.173539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.173539 (E_RNA)
where:
Base-Base interactions energy: -151.764
where: short stacking energy: -63.914
Base-Backbone interact. energy: -0.312
local terms energy: -69.097612
where:
bonds (distance) C4'-P energy: -9.691
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -19.297
flat angles P-C4'-P energy: -8.338
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: 6, replica: 8
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -118.472605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.472605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.472605 (E_RNA)
where:
Base-Base interactions energy: -58.891
where: short stacking energy: -41.961
Base-Backbone interact. energy: -0.014
local terms energy: -59.567440
where:
bonds (distance) C4'-P energy: -11.766
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -6.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -93.837695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.837695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.837695 (E_RNA)
where:
Base-Base interactions energy: -35.888
where: short stacking energy: -35.660
Base-Backbone interact. energy: -0.208
local terms energy: -57.741991
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -7.180
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: 7
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -142.592031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.592031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.592031 (E_RNA)
where:
Base-Base interactions energy: -87.980
where: short stacking energy: -40.172
Base-Backbone interact. energy: -0.690
local terms energy: -53.922478
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -4.325
tors. eta vs tors. theta energy: -7.867
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: 6
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -102.873633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.873633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.873633 (E_RNA)
where:
Base-Base interactions energy: -52.449
where: short stacking energy: -29.605
Base-Backbone interact. energy: -0.437
local terms energy: -49.987583
where:
bonds (distance) C4'-P energy: -17.026
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -0.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -83.518270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.518270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.518270 (E_RNA)
where:
Base-Base interactions energy: -35.593
where: short stacking energy: -35.593
Base-Backbone interact. energy: -0.602
local terms energy: -47.323371
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -0.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -249.477773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.477773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.477773 (E_RNA)
where:
Base-Base interactions energy: -173.147
where: short stacking energy: -70.204
Base-Backbone interact. energy: 0.620
local terms energy: -76.951108
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -14.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -241.003318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.003318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.003318 (E_RNA)
where:
Base-Base interactions energy: -167.412
where: short stacking energy: -73.345
Base-Backbone interact. energy: -0.239
local terms energy: -73.352472
where:
bonds (distance) C4'-P energy: -9.240
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -17.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -232.348918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.348918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.348918 (E_RNA)
where:
Base-Base interactions energy: -162.665
where: short stacking energy: -66.354
Base-Backbone interact. energy: 0.216
local terms energy: -69.899535
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -14.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -190.497764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.497764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.497764 (E_RNA)
where:
Base-Base interactions energy: -118.773
where: short stacking energy: -68.888
Base-Backbone interact. energy: -0.014
local terms energy: -71.710214
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -14.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -231.892207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.892207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.892207 (E_RNA)
where:
Base-Base interactions energy: -163.504
where: short stacking energy: -69.576
Base-Backbone interact. energy: 1.041
local terms energy: -69.428879
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -13.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -127.306688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.306688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.306688 (E_RNA)
where:
Base-Base interactions energy: -61.465
where: short stacking energy: -46.944
Base-Backbone interact. energy: -0.380
local terms energy: -65.461516
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -9.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -154.505584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.505584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.505584 (E_RNA)
where:
Base-Base interactions energy: -99.620
where: short stacking energy: -44.546
Base-Backbone interact. energy: -0.257
local terms energy: -54.627804
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -10.508
flat angles P-C4'-P energy: -3.378
tors. eta vs tors. theta energy: -11.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -93.978139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.978139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.978139 (E_RNA)
where:
Base-Base interactions energy: -41.045
where: short stacking energy: -41.045
Base-Backbone interact. energy: 0.497
local terms energy: -53.430070
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -3.853
tors. eta vs tors. theta energy: -8.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -88.071955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.071955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.071955 (E_RNA)
where:
Base-Base interactions energy: -33.863
where: short stacking energy: -18.788
Base-Backbone interact. energy: -0.455
local terms energy: -53.754195
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -1.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -92.933986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.933986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.933986 (E_RNA)
where:
Base-Base interactions energy: -38.132
where: short stacking energy: -35.263
Base-Backbone interact. energy: -0.073
local terms energy: -54.729164
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -6.994
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: 1, replica: 10
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -263.742555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.742555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.742555 (E_RNA)
where:
Base-Base interactions energy: -183.450
where: short stacking energy: -70.397
Base-Backbone interact. energy: 0.507
local terms energy: -80.800037
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -15.249
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: 2, replica: 4
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -245.997562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.997562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.997562 (E_RNA)
where:
Base-Base interactions energy: -162.653
where: short stacking energy: -79.984
Base-Backbone interact. energy: -0.405
local terms energy: -82.939511
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -21.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -229.943283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.943283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.943283 (E_RNA)
where:
Base-Base interactions energy: -156.498
where: short stacking energy: -61.314
Base-Backbone interact. energy: -0.261
local terms energy: -73.183853
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -14.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -226.494543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.494543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.494543 (E_RNA)
where:
Base-Base interactions energy: -151.922
where: short stacking energy: -68.651
Base-Backbone interact. energy: 1.195
local terms energy: -75.766968
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -17.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -188.495584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.495584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.495584 (E_RNA)
where:
Base-Base interactions energy: -127.304
where: short stacking energy: -67.908
Base-Backbone interact. energy: -0.194
local terms energy: -60.997755
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -9.209
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -16.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -179.561810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.561810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.561810 (E_RNA)
where:
Base-Base interactions energy: -114.734
where: short stacking energy: -59.824
Base-Backbone interact. energy: -0.575
local terms energy: -64.252869
where:
bonds (distance) C4'-P energy: -12.618
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -9.550
flat angles P-C4'-P energy: -10.796
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: 7, replica: 8
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -143.163896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.163896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.163896 (E_RNA)
where:
Base-Base interactions energy: -90.175
where: short stacking energy: -51.126
Base-Backbone interact. energy: -0.398
local terms energy: -52.590743
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: -8.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -103.176708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.176708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.176708 (E_RNA)
where:
Base-Base interactions energy: -36.694
where: short stacking energy: -34.651
Base-Backbone interact. energy: -0.103
local terms energy: -66.379856
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -9.147
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: 9
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -101.292037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.292037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.292037 (E_RNA)
where:
Base-Base interactions energy: -48.173
where: short stacking energy: -40.278
Base-Backbone interact. energy: 2.117
local terms energy: -55.236082
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -17.830
flat angles C4'-P-C4' energy: -6.386
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -4.707
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: 10, replica: 1
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -87.882530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.882530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.882530 (E_RNA)
where:
Base-Base interactions energy: -33.769
where: short stacking energy: -33.869
Base-Backbone interact. energy: 0.160
local terms energy: -54.273531
where:
bonds (distance) C4'-P energy: -17.537
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -5.989
tors. eta vs tors. theta energy: 0.655
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: 4
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -246.538744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.538744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.538744 (E_RNA)
where:
Base-Base interactions energy: -162.861
where: short stacking energy: -64.196
Base-Backbone interact. energy: 0.119
local terms energy: -83.797275
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -12.441
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: 2, replica: 10
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -240.430057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.430057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.430057 (E_RNA)
where:
Base-Base interactions energy: -161.932
where: short stacking energy: -67.215
Base-Backbone interact. energy: 0.181
local terms energy: -78.678693
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -15.242
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: 3, replica: 3
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -236.092632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.092632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.092632 (E_RNA)
where:
Base-Base interactions energy: -156.100
where: short stacking energy: -71.307
Base-Backbone interact. energy: -0.185
local terms energy: -79.807365
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -18.971
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -16.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -222.033300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.033300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.033300 (E_RNA)
where:
Base-Base interactions energy: -158.227
where: short stacking energy: -60.472
Base-Backbone interact. energy: 0.682
local terms energy: -64.488503
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -9.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -206.033811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.033811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.033811 (E_RNA)
where:
Base-Base interactions energy: -124.708
where: short stacking energy: -62.440
Base-Backbone interact. energy: -0.072
local terms energy: -81.254481
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -19.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -196.113203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.113203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.113203 (E_RNA)
where:
Base-Base interactions energy: -114.487
where: short stacking energy: -58.423
Base-Backbone interact. energy: -0.031
local terms energy: -81.595900
where:
bonds (distance) C4'-P energy: -19.369
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -13.015
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: 7, replica: 8
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -143.973710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.973710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.973710 (E_RNA)
where:
Base-Base interactions energy: -79.399
where: short stacking energy: -38.035
Base-Backbone interact. energy: 1.024
local terms energy: -65.598707
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: -9.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -92.541303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.541303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.541303 (E_RNA)
where:
Base-Base interactions energy: -34.868
where: short stacking energy: -20.755
Base-Backbone interact. energy: -0.175
local terms energy: -57.498992
where:
bonds (distance) C4'-P energy: -17.725
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: 2.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -81.764340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.764340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.764340 (E_RNA)
where:
Base-Base interactions energy: -28.559
where: short stacking energy: -21.873
Base-Backbone interact. energy: -0.719
local terms energy: -52.487120
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -10.397
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -6.881
tors. eta vs tors. theta energy: -1.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -71.546421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.546421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.546421 (E_RNA)
where:
Base-Base interactions energy: -25.366
where: short stacking energy: -15.278
Base-Backbone interact. energy: -0.286
local terms energy: -45.894397
where:
bonds (distance) C4'-P energy: -17.848
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -9.538
flat angles P-C4'-P energy: -6.151
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: 1, replica: 4
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -245.473702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.473702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.473702 (E_RNA)
where:
Base-Base interactions energy: -160.822
where: short stacking energy: -67.721
Base-Backbone interact. energy: -0.415
local terms energy: -84.236735
where:
bonds (distance) C4'-P energy: -16.538
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -15.200
tors. eta vs tors. theta energy: -19.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -245.773829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.773829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.773829 (E_RNA)
where:
Base-Base interactions energy: -172.193
where: short stacking energy: -64.926
Base-Backbone interact. energy: -0.331
local terms energy: -73.249761
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -14.847
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: 3
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -235.468709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.468709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.468709 (E_RNA)
where:
Base-Base interactions energy: -152.134
where: short stacking energy: -61.298
Base-Backbone interact. energy: -1.064
local terms energy: -82.271357
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -13.981
tors. eta vs tors. theta energy: -18.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -206.914398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.914398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.914398 (E_RNA)
where:
Base-Base interactions energy: -136.663
where: short stacking energy: -54.397
Base-Backbone interact. energy: -1.576
local terms energy: -68.674855
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -18.257
flat angles P-C4'-P energy: -6.067
tors. eta vs tors. theta energy: -12.418
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: 7
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -192.958106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.958106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.958106 (E_RNA)
where:
Base-Base interactions energy: -125.323
where: short stacking energy: -66.306
Base-Backbone interact. energy: -0.003
local terms energy: -67.632379
where:
bonds (distance) C4'-P energy: -7.934
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -21.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -199.992189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.992189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.992189 (E_RNA)
where:
Base-Base interactions energy: -126.818
where: short stacking energy: -69.221
Base-Backbone interact. energy: -0.449
local terms energy: -72.724589
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -20.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -137.726852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.726852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.726852 (E_RNA)
where:
Base-Base interactions energy: -76.028
where: short stacking energy: -39.959
Base-Backbone interact. energy: -0.140
local terms energy: -61.558913
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -19.561
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -7.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -95.610832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.610832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.610832 (E_RNA)
where:
Base-Base interactions energy: -44.067
where: short stacking energy: -43.156
Base-Backbone interact. energy: -0.364
local terms energy: -51.179806
where:
bonds (distance) C4'-P energy: -15.624
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -6.197
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -5.584
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: 6
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -93.290417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.290417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.290417 (E_RNA)
where:
Base-Base interactions energy: -42.590
where: short stacking energy: -36.631
Base-Backbone interact. energy: -0.262
local terms energy: -50.439021
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -3.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -84.042821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.042821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.042821 (E_RNA)
where:
Base-Base interactions energy: -32.241
where: short stacking energy: -32.241
Base-Backbone interact. energy: -0.226
local terms energy: -51.576255
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -8.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -260.568528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.568528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.568528 (E_RNA)
where:
Base-Base interactions energy: -185.788
where: short stacking energy: -67.243
Base-Backbone interact. energy: 2.629
local terms energy: -77.408840
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -18.852
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -16.208
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: 2, replica: 4
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -241.548040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.548040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.548040 (E_RNA)
where:
Base-Base interactions energy: -163.457
where: short stacking energy: -67.236
Base-Backbone interact. energy: -0.354
local terms energy: -77.736544
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -18.469
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -15.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -229.703057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.703057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.703057 (E_RNA)
where:
Base-Base interactions energy: -152.980
where: short stacking energy: -73.354
Base-Backbone interact. energy: 0.168
local terms energy: -76.890358
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -9.651
flat angles C4'-P-C4' energy: -18.652
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -19.261
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: 5
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -222.054194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.054194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.054194 (E_RNA)
where:
Base-Base interactions energy: -147.503
where: short stacking energy: -57.960
Base-Backbone interact. energy: 0.209
local terms energy: -74.760854
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -20.233
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -13.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -167.325663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.325663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.325663 (E_RNA)
where:
Base-Base interactions energy: -102.128
where: short stacking energy: -44.084
Base-Backbone interact. energy: -0.155
local terms energy: -65.042265
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -10.059
flat angles C4'-P-C4' energy: -19.309
flat angles P-C4'-P energy: -13.294
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: 6, replica: 7
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -188.842840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.842840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.842840 (E_RNA)
where:
Base-Base interactions energy: -118.600
where: short stacking energy: -55.074
Base-Backbone interact. energy: -0.658
local terms energy: -69.584559
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -18.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -174.606593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.606593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.606593 (E_RNA)
where:
Base-Base interactions energy: -117.777
where: short stacking energy: -48.904
Base-Backbone interact. energy: 3.275
local terms energy: -60.104456
where:
bonds (distance) C4'-P energy: -9.799
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -9.425
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: 1
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -100.347766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.347766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.347766 (E_RNA)
where:
Base-Base interactions energy: -42.817
where: short stacking energy: -42.742
Base-Backbone interact. energy: -0.091
local terms energy: -57.440718
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -9.738
flat angles P-C4'-P energy: -8.796
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: 9, replica: 6
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -94.566474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.566474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.566474 (E_RNA)
where:
Base-Base interactions energy: -46.989
where: short stacking energy: -22.604
Base-Backbone interact. energy: -0.603
local terms energy: -46.974385
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -11.366
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -2.832
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: 9
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -87.845120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.845120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.845120 (E_RNA)
where:
Base-Base interactions energy: -32.783
where: short stacking energy: -31.398
Base-Backbone interact. energy: -0.011
local terms energy: -55.050866
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -5.569
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -9.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -252.066340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.066340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.066340 (E_RNA)
where:
Base-Base interactions energy: -176.239
where: short stacking energy: -69.289
Base-Backbone interact. energy: -0.949
local terms energy: -74.878312
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -17.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -242.432347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.432347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.432347 (E_RNA)
where:
Base-Base interactions energy: -164.567
where: short stacking energy: -70.434
Base-Backbone interact. energy: -0.391
local terms energy: -77.474923
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -19.243
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -18.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -233.797349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.797349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.797349 (E_RNA)
where:
Base-Base interactions energy: -165.930
where: short stacking energy: -62.077
Base-Backbone interact. energy: -0.983
local terms energy: -66.884347
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -13.470
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: 5
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -221.613833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.613833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.613833 (E_RNA)
where:
Base-Base interactions energy: -151.816
where: short stacking energy: -67.388
Base-Backbone interact. energy: -0.764
local terms energy: -69.034087
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -7.412
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: 5, replica: 2
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -184.932779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.932779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.932779 (E_RNA)
where:
Base-Base interactions energy: -117.398
where: short stacking energy: -63.065
Base-Backbone interact. energy: -0.387
local terms energy: -67.147824
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -11.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -153.913308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.913308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.913308 (E_RNA)
where:
Base-Base interactions energy: -96.553
where: short stacking energy: -45.791
Base-Backbone interact. energy: -0.219
local terms energy: -57.141057
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -7.617
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: 8
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -153.860539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.860539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.860539 (E_RNA)
where:
Base-Base interactions energy: -91.376
where: short stacking energy: -40.673
Base-Backbone interact. energy: -0.438
local terms energy: -62.046597
where:
bonds (distance) C4'-P energy: -9.413
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -13.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -83.706635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.706635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.706635 (E_RNA)
where:
Base-Base interactions energy: -27.984
where: short stacking energy: -19.893
Base-Backbone interact. energy: 1.055
local terms energy: -56.778317
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -19.286
flat angles C4'-P-C4' energy: -9.598
flat angles P-C4'-P energy: -7.846
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: 9, replica: 1
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -80.235261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.235261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.235261 (E_RNA)
where:
Base-Base interactions energy: -40.842
where: short stacking energy: -27.992
Base-Backbone interact. energy: 1.401
local terms energy: -40.794472
where:
bonds (distance) C4'-P energy: -11.649
bonds (distance) P-C4' energy: -8.793
flat angles C4'-P-C4' energy: -9.245
flat angles P-C4'-P energy: -8.599
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: 10, replica: 9
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -107.577856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.577856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.577856 (E_RNA)
where:
Base-Base interactions energy: -42.950
where: short stacking energy: -42.950
Base-Backbone interact. energy: -0.977
local terms energy: -63.651206
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -4.556
tors. eta vs tors. theta energy: -13.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -248.220145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.220145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.220145 (E_RNA)
where:
Base-Base interactions energy: -160.319
where: short stacking energy: -74.033
Base-Backbone interact. energy: -0.407
local terms energy: -87.494467
where:
bonds (distance) C4'-P energy: -18.265
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -22.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -248.031969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.031969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.031969 (E_RNA)
where:
Base-Base interactions energy: -172.934
where: short stacking energy: -71.632
Base-Backbone interact. energy: -0.050
local terms energy: -75.048104
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -17.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -233.351588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.351588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.351588 (E_RNA)
where:
Base-Base interactions energy: -161.395
where: short stacking energy: -65.889
Base-Backbone interact. energy: -0.963
local terms energy: -70.993736
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -14.951
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: 5
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -221.559774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.559774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.559774 (E_RNA)
where:
Base-Base interactions energy: -151.594
where: short stacking energy: -63.952
Base-Backbone interact. energy: -0.918
local terms energy: -69.047639
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -12.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -181.157576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.157576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.157576 (E_RNA)
where:
Base-Base interactions energy: -111.195
where: short stacking energy: -49.914
Base-Backbone interact. energy: -0.234
local terms energy: -69.728360
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -18.008
flat angles C4'-P-C4' energy: -11.547
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -13.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -175.743824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.743824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.743824 (E_RNA)
where:
Base-Base interactions energy: -100.020
where: short stacking energy: -54.335
Base-Backbone interact. energy: -0.196
local terms energy: -75.527896
where:
bonds (distance) C4'-P energy: -18.353
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -11.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -151.675606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.675606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.675606 (E_RNA)
where:
Base-Base interactions energy: -87.304
where: short stacking energy: -46.342
Base-Backbone interact. energy: -0.608
local terms energy: -63.764140
where:
bonds (distance) C4'-P energy: -6.630
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -17.337
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: 8, replica: 6
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -102.751485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.751485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.751485 (E_RNA)
where:
Base-Base interactions energy: -32.914
where: short stacking energy: -35.566
Base-Backbone interact. energy: -0.375
local terms energy: -69.462338
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -5.949
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: 9
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -86.270726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.270726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.270726 (E_RNA)
where:
Base-Base interactions energy: -34.921
where: short stacking energy: -34.921
Base-Backbone interact. energy: -1.193
local terms energy: -50.156637
where:
bonds (distance) C4'-P energy: -9.373
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -3.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -84.391579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.391579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.391579 (E_RNA)
where:
Base-Base interactions energy: -34.449
where: short stacking energy: -22.383
Base-Backbone interact. energy: -0.250
local terms energy: -49.692150
where:
bonds (distance) C4'-P energy: -6.502
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -3.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -253.658879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.658879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.658879 (E_RNA)
where:
Base-Base interactions energy: -166.961
where: short stacking energy: -68.117
Base-Backbone interact. energy: -0.203
local terms energy: -86.494469
where:
bonds (distance) C4'-P energy: -16.787
bonds (distance) P-C4' energy: -18.897
flat angles C4'-P-C4' energy: -19.848
flat angles P-C4'-P energy: -13.231
tors. eta vs tors. theta energy: -17.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -249.460047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.460047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.460047 (E_RNA)
where:
Base-Base interactions energy: -170.642
where: short stacking energy: -73.539
Base-Backbone interact. energy: -0.231
local terms energy: -78.587209
where:
bonds (distance) C4'-P energy: -14.266
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -10.488
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: 3, replica: 3
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -236.225068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.225068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.225068 (E_RNA)
where:
Base-Base interactions energy: -162.570
where: short stacking energy: -71.495
Base-Backbone interact. energy: -0.302
local terms energy: -73.353444
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -16.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -221.959950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.959950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.959950 (E_RNA)
where:
Base-Base interactions energy: -148.739
where: short stacking energy: -77.311
Base-Backbone interact. energy: -0.006
local terms energy: -73.214858
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -17.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -210.760141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.760141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.760141 (E_RNA)
where:
Base-Base interactions energy: -148.849
where: short stacking energy: -58.702
Base-Backbone interact. energy: -1.104
local terms energy: -60.806956
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -12.497
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -10.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -153.697500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.697500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.697500 (E_RNA)
where:
Base-Base interactions energy: -95.387
where: short stacking energy: -45.960
Base-Backbone interact. energy: -1.043
local terms energy: -57.267869
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: -8.682
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: 7, replica: 7
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -152.208873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.208873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.208873 (E_RNA)
where:
Base-Base interactions energy: -89.052
where: short stacking energy: -42.776
Base-Backbone interact. energy: 1.969
local terms energy: -65.126065
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -9.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -98.534752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.534752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.534752 (E_RNA)
where:
Base-Base interactions energy: -40.467
where: short stacking energy: -40.467
Base-Backbone interact. energy: -0.060
local terms energy: -58.008358
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -18.539
flat angles C4'-P-C4' energy: -7.577
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -9.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -83.835536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.835536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.835536 (E_RNA)
where:
Base-Base interactions energy: -29.857
where: short stacking energy: -24.406
Base-Backbone interact. energy: -0.270
local terms energy: -53.709153
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -3.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -85.400346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.400346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.400346 (E_RNA)
where:
Base-Base interactions energy: -40.894
where: short stacking energy: -25.183
Base-Backbone interact. energy: -0.157
local terms energy: -44.349495
where:
bonds (distance) C4'-P energy: -6.674
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -10.378
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: 2.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -244.942171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.942171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.942171 (E_RNA)
where:
Base-Base interactions energy: -164.764
where: short stacking energy: -63.720
Base-Backbone interact. energy: -0.034
local terms energy: -80.144736
where:
bonds (distance) C4'-P energy: -17.208
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -17.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -251.126109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.126109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.126109 (E_RNA)
where:
Base-Base interactions energy: -169.360
where: short stacking energy: -71.971
Base-Backbone interact. energy: -0.175
local terms energy: -81.590675
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -18.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -229.658001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.658001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.658001 (E_RNA)
where:
Base-Base interactions energy: -146.521
where: short stacking energy: -59.265
Base-Backbone interact. energy: -1.233
local terms energy: -81.904077
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -16.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -204.274671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.274671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.274671 (E_RNA)
where:
Base-Base interactions energy: -132.549
where: short stacking energy: -66.763
Base-Backbone interact. energy: 0.063
local terms energy: -71.789070
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -16.675
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: 478
Temperature: 1.100000
Total energy: -213.957689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.957689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.957689 (E_RNA)
where:
Base-Base interactions energy: -142.039
where: short stacking energy: -68.229
Base-Backbone interact. energy: -0.380
local terms energy: -71.538781
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -17.348
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -13.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -162.587552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.587552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.587552 (E_RNA)
where:
Base-Base interactions energy: -100.734
where: short stacking energy: -55.803
Base-Backbone interact. energy: -0.452
local terms energy: -61.401474
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -1.186
tors. eta vs tors. theta energy: -16.010
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: 7
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -159.225674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.225674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.225674 (E_RNA)
where:
Base-Base interactions energy: -98.715
where: short stacking energy: -51.927
Base-Backbone interact. energy: -0.702
local terms energy: -59.809546
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -7.544
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: 8, replica: 9
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -86.037361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.037361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.037361 (E_RNA)
where:
Base-Base interactions energy: -25.128
where: short stacking energy: -25.128
Base-Backbone interact. energy: -0.146
local terms energy: -60.763440
where:
bonds (distance) C4'-P energy: -17.289
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -19.024
flat angles P-C4'-P energy: -3.831
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: 9, replica: 1
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -85.044443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.044443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.044443 (E_RNA)
where:
Base-Base interactions energy: -31.696
where: short stacking energy: -31.354
Base-Backbone interact. energy: -0.182
local terms energy: -53.165798
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -7.047
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: 10, replica: 6
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -83.185344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.185344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.185344 (E_RNA)
where:
Base-Base interactions energy: -32.423
where: short stacking energy: -26.651
Base-Backbone interact. energy: 0.774
local terms energy: -51.536047
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -0.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -244.858920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.858920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.858920 (E_RNA)
where:
Base-Base interactions energy: -168.374
where: short stacking energy: -60.672
Base-Backbone interact. energy: 1.992
local terms energy: -78.477334
where:
bonds (distance) C4'-P energy: -18.828
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -14.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -256.703647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.703647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.703647 (E_RNA)
where:
Base-Base interactions energy: -174.376
where: short stacking energy: -71.280
Base-Backbone interact. energy: 0.678
local terms energy: -83.005855
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -13.942
flat angles C4'-P-C4' energy: -17.517
flat angles P-C4'-P energy: -16.830
tors. eta vs tors. theta energy: -19.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -233.235982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.235982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.235982 (E_RNA)
where:
Base-Base interactions energy: -153.388
where: short stacking energy: -64.957
Base-Backbone interact. energy: 1.490
local terms energy: -81.338024
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -14.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -202.885436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.885436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.885436 (E_RNA)
where:
Base-Base interactions energy: -135.143
where: short stacking energy: -58.482
Base-Backbone interact. energy: -0.144
local terms energy: -67.598001
where:
bonds (distance) C4'-P energy: -10.159
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -14.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -187.043058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.043058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.043058 (E_RNA)
where:
Base-Base interactions energy: -117.989
where: short stacking energy: -53.658
Base-Backbone interact. energy: -0.285
local terms energy: -68.768674
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -19.296
flat angles C4'-P-C4' energy: -18.488
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -9.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -154.291562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.291562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.291562 (E_RNA)
where:
Base-Base interactions energy: -90.818
where: short stacking energy: -47.757
Base-Backbone interact. energy: 0.298
local terms energy: -63.771536
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -14.971
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -7.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -168.600832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.600832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.600832 (E_RNA)
where:
Base-Base interactions energy: -99.524
where: short stacking energy: -44.864
Base-Backbone interact. energy: -0.025
local terms energy: -69.052591
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -9.982
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: 8, replica: 1
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -87.781693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.781693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.781693 (E_RNA)
where:
Base-Base interactions energy: -30.281
where: short stacking energy: -26.265
Base-Backbone interact. energy: -0.459
local terms energy: -57.041046
where:
bonds (distance) C4'-P energy: -17.757
bonds (distance) P-C4' energy: -13.674
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -3.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -85.057055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.057055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.057055 (E_RNA)
where:
Base-Base interactions energy: -42.530
where: short stacking energy: -30.416
Base-Backbone interact. energy: -0.333
local terms energy: -42.194545
where:
bonds (distance) C4'-P energy: -9.111
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -7.013
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: 0.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -100.235262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.235262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.235262 (E_RNA)
where:
Base-Base interactions energy: -40.611
where: short stacking energy: -28.835
Base-Backbone interact. energy: -0.296
local terms energy: -59.328709
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -2.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -258.131303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.131303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.131303 (E_RNA)
where:
Base-Base interactions energy: -177.171
where: short stacking energy: -78.988
Base-Backbone interact. energy: -0.106
local terms energy: -80.854106
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -19.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -250.668897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.668897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.668897 (E_RNA)
where:
Base-Base interactions energy: -166.261
where: short stacking energy: -66.162
Base-Backbone interact. energy: -1.272
local terms energy: -83.136031
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -16.039
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: 3, replica: 3
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -231.540289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.540289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.540289 (E_RNA)
where:
Base-Base interactions energy: -160.029
where: short stacking energy: -68.601
Base-Backbone interact. energy: -0.563
local terms energy: -70.948430
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -18.014
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -12.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -192.055752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.055752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.055752 (E_RNA)
where:
Base-Base interactions energy: -136.456
where: short stacking energy: -58.097
Base-Backbone interact. energy: 1.233
local terms energy: -56.832663
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -6.542
flat angles P-C4'-P energy: -12.504
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: 5, replica: 2
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -198.371727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.371727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.371727 (E_RNA)
where:
Base-Base interactions energy: -122.618
where: short stacking energy: -66.422
Base-Backbone interact. energy: -0.018
local terms energy: -75.735668
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -10.676
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: 6, replica: 7
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -177.998899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.998899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.998899 (E_RNA)
where:
Base-Base interactions energy: -106.232
where: short stacking energy: -47.922
Base-Backbone interact. energy: -0.092
local terms energy: -71.674168
where:
bonds (distance) C4'-P energy: -17.793
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -10.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -167.021568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.021568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.021568 (E_RNA)
where:
Base-Base interactions energy: -95.179
where: short stacking energy: -41.018
Base-Backbone interact. energy: -0.105
local terms energy: -71.738373
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -13.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -86.125345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.125345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.125345 (E_RNA)
where:
Base-Base interactions energy: -38.107
where: short stacking energy: -38.107
Base-Backbone interact. energy: -0.039
local terms energy: -47.979114
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: -5.171
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: 6
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -79.576647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.576647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.576647 (E_RNA)
where:
Base-Base interactions energy: -30.614
where: short stacking energy: -29.465
Base-Backbone interact. energy: 0.043
local terms energy: -49.004784
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -5.260
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: 10, replica: 9
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -85.253166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.253166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.253166 (E_RNA)
where:
Base-Base interactions energy: -37.275
where: short stacking energy: -32.107
Base-Backbone interact. energy: -0.170
local terms energy: -47.807684
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -2.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -255.825335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.825335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.825335 (E_RNA)
where:
Base-Base interactions energy: -177.617
where: short stacking energy: -76.419
Base-Backbone interact. energy: 0.486
local terms energy: -78.694216
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -19.943
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -19.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -244.218168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.218168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.218168 (E_RNA)
where:
Base-Base interactions energy: -167.663
where: short stacking energy: -68.010
Base-Backbone interact. energy: -0.539
local terms energy: -76.016531
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -13.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -242.102074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.102074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.102074 (E_RNA)
where:
Base-Base interactions energy: -165.838
where: short stacking energy: -64.353
Base-Backbone interact. energy: -0.481
local terms energy: -75.783688
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -10.393
flat angles P-C4'-P energy: -14.506
tors. eta vs tors. theta energy: -17.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -197.499887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.499887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.499887 (E_RNA)
where:
Base-Base interactions energy: -123.268
where: short stacking energy: -56.266
Base-Backbone interact. energy: -0.842
local terms energy: -73.389951
where:
bonds (distance) C4'-P energy: -13.715
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -18.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -197.208281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.208281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.208281 (E_RNA)
where:
Base-Base interactions energy: -126.426
where: short stacking energy: -53.502
Base-Backbone interact. energy: -0.227
local terms energy: -70.555689
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -10.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -179.406601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.406601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.406601 (E_RNA)
where:
Base-Base interactions energy: -112.456
where: short stacking energy: -58.292
Base-Backbone interact. energy: -0.028
local terms energy: -66.923028
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -11.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -171.076387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.076387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.076387 (E_RNA)
where:
Base-Base interactions energy: -108.355
where: short stacking energy: -49.410
Base-Backbone interact. energy: -0.066
local terms energy: -62.655196
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -12.828
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: 8, replica: 6
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -108.497456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.497456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.497456 (E_RNA)
where:
Base-Base interactions energy: -54.881
where: short stacking energy: -53.407
Base-Backbone interact. energy: 1.142
local terms energy: -54.758364
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -6.393
tors. eta vs tors. theta energy: -7.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -82.398553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.398553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.398553 (E_RNA)
where:
Base-Base interactions energy: -32.632
where: short stacking energy: -30.577
Base-Backbone interact. energy: -0.361
local terms energy: -49.405793
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -5.414
tors. eta vs tors. theta energy: -0.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -91.198477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.198477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.198477 (E_RNA)
where:
Base-Base interactions energy: -33.352
where: short stacking energy: -33.352
Base-Backbone interact. energy: -0.135
local terms energy: -57.711099
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -5.953
tors. eta vs tors. theta energy: -7.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -238.131741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.131741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.131741 (E_RNA)
where:
Base-Base interactions energy: -165.101
where: short stacking energy: -71.272
Base-Backbone interact. energy: -0.764
local terms energy: -72.266138
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -14.718
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -16.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -248.705235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.705235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.705235 (E_RNA)
where:
Base-Base interactions energy: -165.477
where: short stacking energy: -71.357
Base-Backbone interact. energy: -0.687
local terms energy: -82.541534
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -18.035
flat angles P-C4'-P energy: -11.719
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: 3, replica: 4
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -236.532576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.532576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.532576 (E_RNA)
where:
Base-Base interactions energy: -160.146
where: short stacking energy: -72.443
Base-Backbone interact. energy: -0.220
local terms energy: -76.166345
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -22.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -204.221213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.221213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.221213 (E_RNA)
where:
Base-Base interactions energy: -123.963
where: short stacking energy: -62.194
Base-Backbone interact. energy: -0.266
local terms energy: -79.992021
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -18.189
flat angles P-C4'-P energy: -9.914
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: 5, replica: 5
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -199.645501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.645501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.645501 (E_RNA)
where:
Base-Base interactions energy: -133.571
where: short stacking energy: -55.772
Base-Backbone interact. energy: -0.360
local terms energy: -65.714467
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -9.694
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: 6, replica: 7
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -167.503519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.503519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.503519 (E_RNA)
where:
Base-Base interactions energy: -103.156
where: short stacking energy: -54.269
Base-Backbone interact. energy: -0.494
local terms energy: -63.853806
where:
bonds (distance) C4'-P energy: -9.331
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -20.214
flat angles P-C4'-P energy: -5.507
tors. eta vs tors. theta energy: -12.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -162.363994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.363994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.363994 (E_RNA)
where:
Base-Base interactions energy: -98.532
where: short stacking energy: -47.083
Base-Backbone interact. energy: -0.002
local terms energy: -63.829745
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -13.368
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -11.229
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: 8, replica: 6
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -95.506763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.506763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.506763 (E_RNA)
where:
Base-Base interactions energy: -38.129
where: short stacking energy: -37.784
Base-Backbone interact. energy: -0.044
local terms energy: -57.333097
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -14.108
flat angles C4'-P-C4' energy: -8.351
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -9.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -79.683777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.683777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.683777 (E_RNA)
where:
Base-Base interactions energy: -35.853
where: short stacking energy: -24.985
Base-Backbone interact. energy: -0.411
local terms energy: -43.419258
where:
bonds (distance) C4'-P energy: -10.166
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -2.824
tors. eta vs tors. theta energy: 0.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -83.334803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.334803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.334803 (E_RNA)
where:
Base-Base interactions energy: -41.999
where: short stacking energy: -31.084
Base-Backbone interact. energy: -0.225
local terms energy: -41.111149
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -9.945
flat angles P-C4'-P energy: -2.722
tors. eta vs tors. theta energy: 3.733
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: 1, replica: 3
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -246.485354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.485354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.485354 (E_RNA)
where:
Base-Base interactions energy: -165.200
where: short stacking energy: -71.826
Base-Backbone interact. energy: -0.587
local terms energy: -80.697872
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: -17.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -238.727229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.727229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.727229 (E_RNA)
where:
Base-Base interactions energy: -156.685
where: short stacking energy: -76.326
Base-Backbone interact. energy: -0.459
local terms energy: -81.582969
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -19.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -248.510991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.510991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.510991 (E_RNA)
where:
Base-Base interactions energy: -171.511
where: short stacking energy: -70.805
Base-Backbone interact. energy: -0.072
local terms energy: -76.928788
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: -15.776
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: 2
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -202.065054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.065054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.065054 (E_RNA)
where:
Base-Base interactions energy: -124.771
where: short stacking energy: -60.056
Base-Backbone interact. energy: -0.147
local terms energy: -77.147339
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -12.975
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: 5, replica: 5
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -188.984585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.984585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.984585 (E_RNA)
where:
Base-Base interactions energy: -117.991
where: short stacking energy: -53.411
Base-Backbone interact. energy: 0.691
local terms energy: -71.684119
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: -9.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -193.232483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.232483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.232483 (E_RNA)
where:
Base-Base interactions energy: -126.789
where: short stacking energy: -61.720
Base-Backbone interact. energy: -0.110
local terms energy: -66.333432
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -12.736
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: 7
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -163.481233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.481233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.481233 (E_RNA)
where:
Base-Base interactions energy: -99.909
where: short stacking energy: -42.353
Base-Backbone interact. energy: 0.845
local terms energy: -64.417326
where:
bonds (distance) C4'-P energy: -13.095
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -9.377
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: 6
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -106.302055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.302055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.302055 (E_RNA)
where:
Base-Base interactions energy: -44.037
where: short stacking energy: -43.315
Base-Backbone interact. energy: -0.206
local terms energy: -62.059388
where:
bonds (distance) C4'-P energy: -16.327
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -6.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -78.088094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.088094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.088094 (E_RNA)
where:
Base-Base interactions energy: -32.433
where: short stacking energy: -24.643
Base-Backbone interact. energy: 0.920
local terms energy: -46.575921
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -8.614
flat angles P-C4'-P energy: -4.608
tors. eta vs tors. theta energy: -0.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -85.256748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.256748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.256748 (E_RNA)
where:
Base-Base interactions energy: -28.670
where: short stacking energy: -28.079
Base-Backbone interact. energy: 0.703
local terms energy: -57.289831
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -19.055
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -246.260778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.260778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.260778 (E_RNA)
where:
Base-Base interactions energy: -162.055
where: short stacking energy: -78.113
Base-Backbone interact. energy: -0.879
local terms energy: -83.326967
where:
bonds (distance) C4'-P energy: -10.585
bonds (distance) P-C4' energy: -16.941
flat angles C4'-P-C4' energy: -18.764
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -24.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -227.781733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.781733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.781733 (E_RNA)
where:
Base-Base interactions energy: -159.502
where: short stacking energy: -64.790
Base-Backbone interact. energy: -1.186
local terms energy: -67.094143
where:
bonds (distance) C4'-P energy: -15.673
bonds (distance) P-C4' energy: -12.075
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -8.819
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: 3, replica: 10
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -240.050776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.050776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.050776 (E_RNA)
where:
Base-Base interactions energy: -164.649
where: short stacking energy: -64.824
Base-Backbone interact. energy: -0.216
local terms energy: -75.185017
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -18.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -207.385873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.385873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.385873 (E_RNA)
where:
Base-Base interactions energy: -133.555
where: short stacking energy: -71.738
Base-Backbone interact. energy: -0.142
local terms energy: -73.688864
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -12.331
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: 8
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -193.164009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.164009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.164009 (E_RNA)
where:
Base-Base interactions energy: -120.272
where: short stacking energy: -62.392
Base-Backbone interact. energy: -0.021
local terms energy: -72.870277
where:
bonds (distance) C4'-P energy: -18.178
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -15.676
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: 6, replica: 5
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -158.532822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.532822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.532822 (E_RNA)
where:
Base-Base interactions energy: -97.274
where: short stacking energy: -45.718
Base-Backbone interact. energy: -0.380
local terms energy: -60.878564
where:
bonds (distance) C4'-P energy: -7.084
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: -8.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -169.530670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.530670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.530670 (E_RNA)
where:
Base-Base interactions energy: -112.362
where: short stacking energy: -57.555
Base-Backbone interact. energy: -0.161
local terms energy: -57.007072
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -9.796
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -12.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -86.313919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.313919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.313919 (E_RNA)
where:
Base-Base interactions energy: -39.510
where: short stacking energy: -39.510
Base-Backbone interact. energy: -0.637
local terms energy: -46.166184
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -7.028
flat angles P-C4'-P energy: -5.151
tors. eta vs tors. theta energy: -3.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -88.227047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.227047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.227047 (E_RNA)
where:
Base-Base interactions energy: -34.343
where: short stacking energy: -29.269
Base-Backbone interact. energy: 1.000
local terms energy: -54.883825
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -10.763
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -4.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -82.774505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.774505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.774505 (E_RNA)
where:
Base-Base interactions energy: -25.095
where: short stacking energy: -24.407
Base-Backbone interact. energy: -0.319
local terms energy: -57.360512
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -4.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -249.777392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.777392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.777392 (E_RNA)
where:
Base-Base interactions energy: -165.013
where: short stacking energy: -78.173
Base-Backbone interact. energy: -0.402
local terms energy: -84.362538
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -16.065
tors. eta vs tors. theta energy: -20.460
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: 2, replica: 3
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -231.878247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.878247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.878247 (E_RNA)
where:
Base-Base interactions energy: -156.379
where: short stacking energy: -67.283
Base-Backbone interact. energy: 0.398
local terms energy: -75.897189
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -15.550
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: 10
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -243.088800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.088800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.088800 (E_RNA)
where:
Base-Base interactions energy: -161.292
where: short stacking energy: -71.101
Base-Backbone interact. energy: -0.181
local terms energy: -81.615643
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -17.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -197.774482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.774482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.774482 (E_RNA)
where:
Base-Base interactions energy: -118.592
where: short stacking energy: -58.262
Base-Backbone interact. energy: -0.108
local terms energy: -79.073654
where:
bonds (distance) C4'-P energy: -17.779
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -10.170
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -19.972
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: 2
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -192.252926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.252926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.252926 (E_RNA)
where:
Base-Base interactions energy: -120.209
where: short stacking energy: -59.270
Base-Backbone interact. energy: -0.063
local terms energy: -71.980936
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -14.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -182.671389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.671389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.671389 (E_RNA)
where:
Base-Base interactions energy: -110.086
where: short stacking energy: -61.234
Base-Backbone interact. energy: -0.135
local terms energy: -72.450332
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -18.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -146.196088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.196088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.196088 (E_RNA)
where:
Base-Base interactions energy: -87.039
where: short stacking energy: -51.128
Base-Backbone interact. energy: -0.006
local terms energy: -59.150932
where:
bonds (distance) C4'-P energy: -8.995
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -10.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -87.754186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.754186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.754186 (E_RNA)
where:
Base-Base interactions energy: -31.833
where: short stacking energy: -31.576
Base-Backbone interact. energy: -0.077
local terms energy: -55.843445
where:
bonds (distance) C4'-P energy: -11.405
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -6.751
tors. eta vs tors. theta energy: -9.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -89.927338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.927338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.927338 (E_RNA)
where:
Base-Base interactions energy: -39.481
where: short stacking energy: -31.889
Base-Backbone interact. energy: -0.009
local terms energy: -50.437300
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -7.078
flat angles P-C4'-P energy: -5.046
tors. eta vs tors. theta energy: -7.773
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: 10, replica: 1
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -73.483427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.483427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.483427 (E_RNA)
where:
Base-Base interactions energy: -21.484
where: short stacking energy: -17.536
Base-Backbone interact. energy: 0.747
local terms energy: -52.746279
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -14.031
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: 1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -245.654354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.654354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.654354 (E_RNA)
where:
Base-Base interactions energy: -157.081
where: short stacking energy: -73.310
Base-Backbone interact. energy: -0.387
local terms energy: -88.186747
where:
bonds (distance) C4'-P energy: -18.777
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -14.138
tors. eta vs tors. theta energy: -24.478
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: 3
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -238.670344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.670344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.670344 (E_RNA)
where:
Base-Base interactions energy: -166.472
where: short stacking energy: -65.090
Base-Backbone interact. energy: -0.617
local terms energy: -71.581778
where:
bonds (distance) C4'-P energy: -15.446
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -16.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -228.296921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.296921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.296921 (E_RNA)
where:
Base-Base interactions energy: -137.170
where: short stacking energy: -72.651
Base-Backbone interact. energy: -0.055
local terms energy: -91.071482
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -18.596
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -26.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -239.786206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.786206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.786206 (E_RNA)
where:
Base-Base interactions energy: -165.598
where: short stacking energy: -69.235
Base-Backbone interact. energy: -0.260
local terms energy: -73.927783
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -16.332
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: 486
Temperature: 1.100000
Total energy: -172.725346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.725346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.725346 (E_RNA)
where:
Base-Base interactions energy: -102.799
where: short stacking energy: -46.144
Base-Backbone interact. energy: -0.425
local terms energy: -69.501270
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -11.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -194.110683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.110683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.110683 (E_RNA)
where:
Base-Base interactions energy: -124.362
where: short stacking energy: -70.628
Base-Backbone interact. energy: -0.878
local terms energy: -68.870679
where:
bonds (distance) C4'-P energy: -11.642
bonds (distance) P-C4' energy: -12.051
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -19.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -96.570581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.570581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.570581 (E_RNA)
where:
Base-Base interactions energy: -38.666
where: short stacking energy: -35.198
Base-Backbone interact. energy: -0.129
local terms energy: -57.775282
where:
bonds (distance) C4'-P energy: -12.867
bonds (distance) P-C4' energy: -13.860
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -2.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -148.789288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.789288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.789288 (E_RNA)
where:
Base-Base interactions energy: -91.764
where: short stacking energy: -42.937
Base-Backbone interact. energy: -1.019
local terms energy: -56.005515
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -6.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -92.553046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.553046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.553046 (E_RNA)
where:
Base-Base interactions energy: -36.226
where: short stacking energy: -33.487
Base-Backbone interact. energy: -0.128
local terms energy: -56.198614
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -4.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -85.370078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.370078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.370078 (E_RNA)
where:
Base-Base interactions energy: -33.033
where: short stacking energy: -27.861
Base-Backbone interact. energy: 0.348
local terms energy: -52.685452
where:
bonds (distance) C4'-P energy: -13.682
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -8.415
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -3.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -248.235648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.235648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.235648 (E_RNA)
where:
Base-Base interactions energy: -163.001
where: short stacking energy: -70.124
Base-Backbone interact. energy: -0.331
local terms energy: -84.904098
where:
bonds (distance) C4'-P energy: -18.498
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -18.418
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -19.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -238.244814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.244814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.244814 (E_RNA)
where:
Base-Base interactions energy: -158.707
where: short stacking energy: -61.507
Base-Backbone interact. energy: -0.314
local terms energy: -79.223610
where:
bonds (distance) C4'-P energy: -19.283
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -15.398
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: 8
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -211.540170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.540170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.540170 (E_RNA)
where:
Base-Base interactions energy: -128.791
where: short stacking energy: -70.884
Base-Backbone interact. energy: -1.237
local terms energy: -81.512074
where:
bonds (distance) C4'-P energy: -16.734
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -18.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -240.063968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.063968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.063968 (E_RNA)
where:
Base-Base interactions energy: -162.740
where: short stacking energy: -62.086
Base-Backbone interact. energy: -0.210
local terms energy: -77.113366
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -13.492
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: 5, replica: 7
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -186.738073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.738073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.738073 (E_RNA)
where:
Base-Base interactions energy: -114.856
where: short stacking energy: -59.487
Base-Backbone interact. energy: -0.588
local terms energy: -71.294400
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -15.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -163.835193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.835193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.835193 (E_RNA)
where:
Base-Base interactions energy: -98.111
where: short stacking energy: -46.185
Base-Backbone interact. energy: -0.212
local terms energy: -65.511627
where:
bonds (distance) C4'-P energy: -8.626
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -11.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -94.349894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.349894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.349894 (E_RNA)
where:
Base-Base interactions energy: -52.224
where: short stacking energy: -35.579
Base-Backbone interact. energy: -0.028
local terms energy: -42.097825
where:
bonds (distance) C4'-P energy: -10.829
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -17.244
flat angles P-C4'-P energy: -3.239
tors. eta vs tors. theta energy: -0.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -92.940998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.940998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.940998 (E_RNA)
where:
Base-Base interactions energy: -43.768
where: short stacking energy: -37.199
Base-Backbone interact. energy: -0.257
local terms energy: -48.915708
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -1.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -157.179966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.179966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.179966 (E_RNA)
where:
Base-Base interactions energy: -101.521
where: short stacking energy: -47.208
Base-Backbone interact. energy: -0.311
local terms energy: -55.348111
where:
bonds (distance) C4'-P energy: -10.660
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -3.727
tors. eta vs tors. theta energy: -10.696
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: 6
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -92.111073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.111073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.111073 (E_RNA)
where:
Base-Base interactions energy: -36.090
where: short stacking energy: -30.451
Base-Backbone interact. energy: -0.572
local terms energy: -55.449095
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -11.642
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: 1, replica: 4
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -250.010692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.010692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.010692 (E_RNA)
where:
Base-Base interactions energy: -168.632
where: short stacking energy: -74.372
Base-Backbone interact. energy: -0.737
local terms energy: -80.641178
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -18.816
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -19.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -239.521804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.521804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.521804 (E_RNA)
where:
Base-Base interactions energy: -160.834
where: short stacking energy: -64.700
Base-Backbone interact. energy: -0.310
local terms energy: -78.378433
where:
bonds (distance) C4'-P energy: -17.797
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -14.447
tors. eta vs tors. theta energy: -19.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -242.983251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.983251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.983251 (E_RNA)
where:
Base-Base interactions energy: -166.572
where: short stacking energy: -68.671
Base-Backbone interact. energy: -0.773
local terms energy: -75.638705
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -16.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -216.967489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.967489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.967489 (E_RNA)
where:
Base-Base interactions energy: -141.312
where: short stacking energy: -79.904
Base-Backbone interact. energy: -0.810
local terms energy: -74.845343
where:
bonds (distance) C4'-P energy: -8.254
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -21.279
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: 5, replica: 7
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -188.120776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.120776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.120776 (E_RNA)
where:
Base-Base interactions energy: -116.558
where: short stacking energy: -64.075
Base-Backbone interact. energy: -0.003
local terms energy: -71.560059
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -15.621
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: 6, replica: 2
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -160.433024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.433024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.433024 (E_RNA)
where:
Base-Base interactions energy: -97.300
where: short stacking energy: -60.098
Base-Backbone interact. energy: 1.148
local terms energy: -64.281608
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -11.558
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -15.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -118.959678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.959678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.959678 (E_RNA)
where:
Base-Base interactions energy: -59.663
where: short stacking energy: -30.816
Base-Backbone interact. energy: -0.676
local terms energy: -58.620907
where:
bonds (distance) C4'-P energy: -16.849
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: 0.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -96.373143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.373143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.373143 (E_RNA)
where:
Base-Base interactions energy: -42.475
where: short stacking energy: -42.450
Base-Backbone interact. energy: -1.004
local terms energy: -52.894364
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -4.265
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: 9, replica: 5
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -142.721556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.721556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.721556 (E_RNA)
where:
Base-Base interactions energy: -81.513
where: short stacking energy: -39.172
Base-Backbone interact. energy: -0.581
local terms energy: -60.627914
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -5.962
tors. eta vs tors. theta energy: -9.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -94.328709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.328709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.328709 (E_RNA)
where:
Base-Base interactions energy: -45.266
where: short stacking energy: -32.201
Base-Backbone interact. energy: -0.075
local terms energy: -48.987857
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -5.951
tors. eta vs tors. theta energy: -5.615
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: 4
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -244.685734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.685734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.685734 (E_RNA)
where:
Base-Base interactions energy: -162.829
where: short stacking energy: -69.513
Base-Backbone interact. energy: 0.984
local terms energy: -82.841589
where:
bonds (distance) C4'-P energy: -18.307
bonds (distance) P-C4' energy: -19.102
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -16.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -238.554121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.554121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.554121 (E_RNA)
where:
Base-Base interactions energy: -159.594
where: short stacking energy: -61.541
Base-Backbone interact. energy: 0.099
local terms energy: -79.058647
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -15.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -233.962575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.962575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.962575 (E_RNA)
where:
Base-Base interactions energy: -159.649
where: short stacking energy: -74.882
Base-Backbone interact. energy: -0.161
local terms energy: -74.152045
where:
bonds (distance) C4'-P energy: -16.468
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -16.459
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: 8
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -213.575302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.575302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.575302 (E_RNA)
where:
Base-Base interactions energy: -133.446
where: short stacking energy: -61.208
Base-Backbone interact. energy: -1.119
local terms energy: -79.009945
where:
bonds (distance) C4'-P energy: -16.321
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -21.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -192.003772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.003772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.003772 (E_RNA)
where:
Base-Base interactions energy: -118.718
where: short stacking energy: -63.931
Base-Backbone interact. energy: -0.016
local terms energy: -73.269988
where:
bonds (distance) C4'-P energy: -16.656
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -13.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -189.605163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.605163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.605163 (E_RNA)
where:
Base-Base interactions energy: -117.595
where: short stacking energy: -60.754
Base-Backbone interact. energy: 0.174
local terms energy: -72.184186
where:
bonds (distance) C4'-P energy: -8.593
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -14.084
tors. eta vs tors. theta energy: -17.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -95.054098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.054098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.054098 (E_RNA)
where:
Base-Base interactions energy: -30.413
where: short stacking energy: -30.136
Base-Backbone interact. energy: -0.607
local terms energy: -64.034631
where:
bonds (distance) C4'-P energy: -17.572
bonds (distance) P-C4' energy: -17.798
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -9.305
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: 8, replica: 5
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -169.463534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.463534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.463534 (E_RNA)
where:
Base-Base interactions energy: -105.119
where: short stacking energy: -47.166
Base-Backbone interact. energy: -0.033
local terms energy: -64.311819
where:
bonds (distance) C4'-P energy: -9.398
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -10.447
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: 9, replica: 9
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -96.187390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.187390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.187390 (E_RNA)
where:
Base-Base interactions energy: -40.980
where: short stacking energy: -33.359
Base-Backbone interact. energy: -0.511
local terms energy: -54.696117
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -17.968
flat angles C4'-P-C4' energy: -8.368
flat angles P-C4'-P energy: -6.246
tors. eta vs tors. theta energy: -8.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -90.194170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.194170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.194170 (E_RNA)
where:
Base-Base interactions energy: -33.127
where: short stacking energy: -33.127
Base-Backbone interact. energy: -0.486
local terms energy: -56.581452
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -10.921
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: -10.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -245.332684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.332684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.332684 (E_RNA)
where:
Base-Base interactions energy: -166.896
where: short stacking energy: -68.574
Base-Backbone interact. energy: -0.430
local terms energy: -78.007215
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -18.453
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -16.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -238.201029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.201029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.201029 (E_RNA)
where:
Base-Base interactions energy: -154.870
where: short stacking energy: -73.312
Base-Backbone interact. energy: -0.469
local terms energy: -82.861980
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -17.540
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -22.872
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: 3, replica: 8
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -218.435154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.435154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.435154 (E_RNA)
where:
Base-Base interactions energy: -139.518
where: short stacking energy: -69.671
Base-Backbone interact. energy: -0.124
local terms energy: -78.793315
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -19.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -239.559971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.559971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.559971 (E_RNA)
where:
Base-Base interactions energy: -167.311
where: short stacking energy: -66.835
Base-Backbone interact. energy: -0.396
local terms energy: -71.853323
where:
bonds (distance) C4'-P energy: -10.474
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -14.759
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: 7
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -187.721585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.721585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.721585 (E_RNA)
where:
Base-Base interactions energy: -111.129
where: short stacking energy: -60.617
Base-Backbone interact. energy: -0.222
local terms energy: -76.370952
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -13.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -176.735004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.735004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.735004 (E_RNA)
where:
Base-Base interactions energy: -104.857
where: short stacking energy: -58.060
Base-Backbone interact. energy: -0.423
local terms energy: -71.455101
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -17.966
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -12.909
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: 7, replica: 5
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -172.528373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.528373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.528373 (E_RNA)
where:
Base-Base interactions energy: -106.405
where: short stacking energy: -51.171
Base-Backbone interact. energy: -1.851
local terms energy: -64.272182
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -9.588
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -12.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -103.757982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.757982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.757982 (E_RNA)
where:
Base-Base interactions energy: -43.738
where: short stacking energy: -40.749
Base-Backbone interact. energy: -1.379
local terms energy: -58.641083
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -5.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -82.450623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.450623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.450623 (E_RNA)
where:
Base-Base interactions energy: -31.351
where: short stacking energy: -26.421
Base-Backbone interact. energy: -0.907
local terms energy: -50.192802
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -13.152
flat angles C4'-P-C4' energy: -10.443
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: 0.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -80.997718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.997718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.997718 (E_RNA)
where:
Base-Base interactions energy: -43.336
where: short stacking energy: -17.880
Base-Backbone interact. energy: 0.563
local terms energy: -38.224951
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -6.548
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: 3.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -249.647266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.647266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.647266 (E_RNA)
where:
Base-Base interactions energy: -176.103
where: short stacking energy: -63.306
Base-Backbone interact. energy: -0.546
local terms energy: -72.997809
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -11.730
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: 2, replica: 8
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -216.237539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.237539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.237539 (E_RNA)
where:
Base-Base interactions energy: -135.886
where: short stacking energy: -73.430
Base-Backbone interact. energy: -0.134
local terms energy: -80.217475
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -18.306
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: 10
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -234.357670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.357670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.357670 (E_RNA)
where:
Base-Base interactions energy: -163.805
where: short stacking energy: -61.890
Base-Backbone interact. energy: -0.937
local terms energy: -69.615757
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -9.857
flat angles C4'-P-C4' energy: -17.785
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -17.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -227.593758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.593758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.593758 (E_RNA)
where:
Base-Base interactions energy: -157.696
where: short stacking energy: -70.666
Base-Backbone interact. energy: -0.267
local terms energy: -69.629853
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -5.311
tors. eta vs tors. theta energy: -16.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -194.569169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.569169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.569169 (E_RNA)
where:
Base-Base interactions energy: -117.898
where: short stacking energy: -69.484
Base-Backbone interact. energy: -0.090
local terms energy: -76.581688
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -17.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -190.149674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.149674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.149674 (E_RNA)
where:
Base-Base interactions energy: -122.781
where: short stacking energy: -55.407
Base-Backbone interact. energy: 0.077
local terms energy: -67.445645
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -15.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -167.941505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.941505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.941505 (E_RNA)
where:
Base-Base interactions energy: -98.340
where: short stacking energy: -42.066
Base-Backbone interact. energy: -0.699
local terms energy: -68.902251
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -12.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -86.676804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.676804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.676804 (E_RNA)
where:
Base-Base interactions energy: -33.336
where: short stacking energy: -31.889
Base-Backbone interact. energy: -0.161
local terms energy: -53.179445
where:
bonds (distance) C4'-P energy: -6.483
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -6.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -88.110275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.110275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.110275 (E_RNA)
where:
Base-Base interactions energy: -30.752
where: short stacking energy: -31.104
Base-Backbone interact. energy: -0.317
local terms energy: -57.041698
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -0.217
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: 9
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -90.693625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.693625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.693625 (E_RNA)
where:
Base-Base interactions energy: -43.803
where: short stacking energy: -25.235
Base-Backbone interact. energy: -0.792
local terms energy: -46.099568
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -3.879
tors. eta vs tors. theta energy: 1.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -229.127334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.127334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.127334 (E_RNA)
where:
Base-Base interactions energy: -144.259
where: short stacking energy: -83.265
Base-Backbone interact. energy: 0.084
local terms energy: -84.953022
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -18.280
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -22.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -234.727877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.727877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.727877 (E_RNA)
where:
Base-Base interactions energy: -158.330
where: short stacking energy: -64.753
Base-Backbone interact. energy: -0.412
local terms energy: -75.985767
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -15.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -222.256894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.256894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.256894 (E_RNA)
where:
Base-Base interactions energy: -151.921
where: short stacking energy: -61.447
Base-Backbone interact. energy: -0.270
local terms energy: -70.065592
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -12.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -234.552042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.552042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.552042 (E_RNA)
where:
Base-Base interactions energy: -159.375
where: short stacking energy: -69.901
Base-Backbone interact. energy: -0.937
local terms energy: -74.240781
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -19.650
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: 5, replica: 5
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -190.725488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.725488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.725488 (E_RNA)
where:
Base-Base interactions energy: -121.041
where: short stacking energy: -59.063
Base-Backbone interact. energy: -1.694
local terms energy: -67.990479
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -10.083
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -13.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -162.117321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.117321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.117321 (E_RNA)
where:
Base-Base interactions energy: -97.214
where: short stacking energy: -48.908
Base-Backbone interact. energy: -0.193
local terms energy: -64.710027
where:
bonds (distance) C4'-P energy: -9.264
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -6.990
tors. eta vs tors. theta energy: -14.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -171.779982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.779982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.779982 (E_RNA)
where:
Base-Base interactions energy: -104.427
where: short stacking energy: -53.020
Base-Backbone interact. energy: -0.068
local terms energy: -67.284856
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -11.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -100.376113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.376113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.376113 (E_RNA)
where:
Base-Base interactions energy: -39.505
where: short stacking energy: -39.505
Base-Backbone interact. energy: -0.307
local terms energy: -60.564309
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -18.512
flat angles C4'-P-C4' energy: -10.704
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -5.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -92.462980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.462980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.462980 (E_RNA)
where:
Base-Base interactions energy: -34.353
where: short stacking energy: -34.353
Base-Backbone interact. energy: -0.056
local terms energy: -58.054156
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -11.914
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -5.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -83.101801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.101801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.101801 (E_RNA)
where:
Base-Base interactions energy: -30.744
where: short stacking energy: -28.397
Base-Backbone interact. energy: -0.222
local terms energy: -52.136067
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -1.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -234.734925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.734925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.734925 (E_RNA)
where:
Base-Base interactions energy: -152.201
where: short stacking energy: -75.327
Base-Backbone interact. energy: -0.430
local terms energy: -82.103613
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -22.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -233.649585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.649585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.649585 (E_RNA)
where:
Base-Base interactions energy: -156.731
where: short stacking energy: -68.975
Base-Backbone interact. energy: -0.166
local terms energy: -76.752047
where:
bonds (distance) C4'-P energy: -15.798
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -17.836
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -14.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -224.995116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.995116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.995116 (E_RNA)
where:
Base-Base interactions energy: -150.151
where: short stacking energy: -53.905
Base-Backbone interact. energy: -0.820
local terms energy: -74.024342
where:
bonds (distance) C4'-P energy: -17.922
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -13.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -229.230023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.230023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.230023 (E_RNA)
where:
Base-Base interactions energy: -149.083
where: short stacking energy: -70.383
Base-Backbone interact. energy: -0.356
local terms energy: -79.790512
where:
bonds (distance) C4'-P energy: -15.798
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -22.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -187.868194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.868194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.868194 (E_RNA)
where:
Base-Base interactions energy: -116.957
where: short stacking energy: -58.528
Base-Backbone interact. energy: -0.052
local terms energy: -70.858987
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -10.440
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: 2
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -168.461836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.461836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.461836 (E_RNA)
where:
Base-Base interactions energy: -109.940
where: short stacking energy: -55.328
Base-Backbone interact. energy: -0.161
local terms energy: -58.361222
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -10.019
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -8.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -177.987026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.987026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.987026 (E_RNA)
where:
Base-Base interactions energy: -105.169
where: short stacking energy: -58.748
Base-Backbone interact. energy: -0.010
local terms energy: -72.808620
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -19.435
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: 493
Temperature: 1.250000
Total energy: -90.130724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.130724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.130724 (E_RNA)
where:
Base-Base interactions energy: -39.743
where: short stacking energy: -27.117
Base-Backbone interact. energy: -0.160
local terms energy: -50.227940
where:
bonds (distance) C4'-P energy: -9.691
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -2.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -83.805104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.805104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.805104 (E_RNA)
where:
Base-Base interactions energy: -34.176
where: short stacking energy: -31.099
Base-Backbone interact. energy: -0.066
local terms energy: -49.563150
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -3.463
tors. eta vs tors. theta energy: -3.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -85.445290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.445290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.445290 (E_RNA)
where:
Base-Base interactions energy: -34.295
where: short stacking energy: -33.394
Base-Backbone interact. energy: -0.104
local terms energy: -51.047176
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -13.953
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -3.057
tors. eta vs tors. theta energy: -3.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -238.595274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.595274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.595274 (E_RNA)
where:
Base-Base interactions energy: -164.489
where: short stacking energy: -63.359
Base-Backbone interact. energy: -0.975
local terms energy: -73.130867
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -12.915
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: 8
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -214.173587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.173587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.173587 (E_RNA)
where:
Base-Base interactions energy: -142.002
where: short stacking energy: -60.972
Base-Backbone interact. energy: -0.203
local terms energy: -71.968433
where:
bonds (distance) C4'-P energy: -10.548
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -19.378
flat angles P-C4'-P energy: -7.618
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: 3, replica: 10
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -239.748831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.748831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.748831 (E_RNA)
where:
Base-Base interactions energy: -163.490
where: short stacking energy: -74.161
Base-Backbone interact. energy: -1.434
local terms energy: -74.824796
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -19.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -222.480951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.480951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.480951 (E_RNA)
where:
Base-Base interactions energy: -153.738
where: short stacking energy: -64.254
Base-Backbone interact. energy: -0.511
local terms energy: -68.231498
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -14.718
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -18.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -189.003380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.003380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.003380 (E_RNA)
where:
Base-Base interactions energy: -120.183
where: short stacking energy: -56.619
Base-Backbone interact. energy: -0.192
local terms energy: -68.628050
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -14.158
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -14.091
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: 2
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -170.836737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.836737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.836737 (E_RNA)
where:
Base-Base interactions energy: -106.859
where: short stacking energy: -55.311
Base-Backbone interact. energy: -0.532
local terms energy: -63.445728
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -7.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -114.743445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.743445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.743445 (E_RNA)
where:
Base-Base interactions energy: -42.649
where: short stacking energy: -42.649
Base-Backbone interact. energy: -0.000
local terms energy: -72.094544
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -14.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -89.913129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.913129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.913129 (E_RNA)
where:
Base-Base interactions energy: -29.960
where: short stacking energy: -28.340
Base-Backbone interact. energy: -0.228
local terms energy: -59.724793
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -9.023
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -4.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -102.625939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.625939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.625939 (E_RNA)
where:
Base-Base interactions energy: -39.308
where: short stacking energy: -38.186
Base-Backbone interact. energy: 0.368
local terms energy: -63.686332
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -8.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -81.779099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.779099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.779099 (E_RNA)
where:
Base-Base interactions energy: -27.223
where: short stacking energy: -24.609
Base-Backbone interact. energy: 0.734
local terms energy: -55.290006
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -4.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -227.753811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.753811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.753811 (E_RNA)
where:
Base-Base interactions energy: -157.814
where: short stacking energy: -61.548
Base-Backbone interact. energy: -0.787
local terms energy: -69.153094
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -13.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -237.278772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.278772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.278772 (E_RNA)
where:
Base-Base interactions energy: -157.796
where: short stacking energy: -69.652
Base-Backbone interact. energy: -1.094
local terms energy: -78.389172
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -16.052
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -20.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -216.659508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.659508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.659508 (E_RNA)
where:
Base-Base interactions energy: -138.242
where: short stacking energy: -73.871
Base-Backbone interact. energy: -0.032
local terms energy: -78.385095
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -22.334
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: 495
Temperature: 1.050000
Total energy: -229.246586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.246586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.246586 (E_RNA)
where:
Base-Base interactions energy: -148.279
where: short stacking energy: -58.214
Base-Backbone interact. energy: -0.313
local terms energy: -80.655073
where:
bonds (distance) C4'-P energy: -17.822
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -15.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -183.390458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.390458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.390458 (E_RNA)
where:
Base-Base interactions energy: -116.244
where: short stacking energy: -61.013
Base-Backbone interact. energy: -0.100
local terms energy: -67.046524
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -15.904
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: 2
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -173.492771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.492771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.492771 (E_RNA)
where:
Base-Base interactions energy: -110.884
where: short stacking energy: -58.707
Base-Backbone interact. energy: -0.075
local terms energy: -62.533556
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -12.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -103.988539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.988539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.988539 (E_RNA)
where:
Base-Base interactions energy: -43.112
where: short stacking energy: -43.112
Base-Backbone interact. energy: 0.020
local terms energy: -60.895760
where:
bonds (distance) C4'-P energy: -17.002
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -3.913
tors. eta vs tors. theta energy: -8.332
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: 1
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -95.644873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.644873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.644873 (E_RNA)
where:
Base-Base interactions energy: -40.654
where: short stacking energy: -29.267
Base-Backbone interact. energy: 0.579
local terms energy: -55.570078
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -9.477
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: 9, replica: 9
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -90.189754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.189754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.189754 (E_RNA)
where:
Base-Base interactions energy: -38.427
where: short stacking energy: -30.028
Base-Backbone interact. energy: -0.148
local terms energy: -51.615267
where:
bonds (distance) C4'-P energy: -16.899
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -5.982
tors. eta vs tors. theta energy: -2.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -89.275205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.275205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.275205 (E_RNA)
where:
Base-Base interactions energy: -40.972
where: short stacking energy: -27.783
Base-Backbone interact. energy: -0.154
local terms energy: -48.149220
where:
bonds (distance) C4'-P energy: -9.043
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -4.817
tors. eta vs tors. theta energy: -4.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -242.903841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.903841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.903841 (E_RNA)
where:
Base-Base interactions energy: -161.672
where: short stacking energy: -76.876
Base-Backbone interact. energy: -0.403
local terms energy: -80.828828
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -20.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -236.227743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.227743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.227743 (E_RNA)
where:
Base-Base interactions energy: -167.516
where: short stacking energy: -53.011
Base-Backbone interact. energy: 0.720
local terms energy: -69.431116
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -13.036
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: 3, replica: 8
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -219.176549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.176549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.176549 (E_RNA)
where:
Base-Base interactions energy: -141.123
where: short stacking energy: -78.359
Base-Backbone interact. energy: -1.746
local terms energy: -76.307237
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -20.787
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: 4
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -232.652673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.652673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.652673 (E_RNA)
where:
Base-Base interactions energy: -150.444
where: short stacking energy: -68.227
Base-Backbone interact. energy: -0.588
local terms energy: -81.620432
where:
bonds (distance) C4'-P energy: -18.356
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -20.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -192.046098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.046098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.046098 (E_RNA)
where:
Base-Base interactions energy: -123.473
where: short stacking energy: -62.522
Base-Backbone interact. energy: -0.070
local terms energy: -68.502584
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -10.387
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -14.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -202.840968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.840968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.840968 (E_RNA)
where:
Base-Base interactions energy: -127.805
where: short stacking energy: -70.904
Base-Backbone interact. energy: -0.022
local terms energy: -75.013892
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -12.839
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: 7, replica: 7
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -93.191980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.191980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.191980 (E_RNA)
where:
Base-Base interactions energy: -46.646
where: short stacking energy: -36.469
Base-Backbone interact. energy: 0.292
local terms energy: -46.837902
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -7.579
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -3.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -84.990668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.990668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.990668 (E_RNA)
where:
Base-Base interactions energy: -38.505
where: short stacking energy: -16.075
Base-Backbone interact. energy: -0.539
local terms energy: -45.947521
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -5.325
tors. eta vs tors. theta energy: 0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -102.282835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.282835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.282835 (E_RNA)
where:
Base-Base interactions energy: -50.455
where: short stacking energy: -33.741
Base-Backbone interact. energy: 0.728
local terms energy: -52.556392
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -5.415
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -82.673603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.673603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.673603 (E_RNA)
where:
Base-Base interactions energy: -32.875
where: short stacking energy: -34.075
Base-Backbone interact. energy: -0.235
local terms energy: -49.563353
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -7.379
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -5.556
tors. eta vs tors. theta energy: -6.386
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: 1, replica: 10
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -244.748275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.748275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.748275 (E_RNA)
where:
Base-Base interactions energy: -159.042
where: short stacking energy: -75.478
Base-Backbone interact. energy: -0.261
local terms energy: -85.445772
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -18.657
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -21.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -238.063141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.063141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.063141 (E_RNA)
where:
Base-Base interactions energy: -161.967
where: short stacking energy: -60.324
Base-Backbone interact. energy: -0.511
local terms energy: -75.585514
where:
bonds (distance) C4'-P energy: -19.580
bonds (distance) P-C4' energy: -16.413
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -12.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -208.379527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.379527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.379527 (E_RNA)
where:
Base-Base interactions energy: -135.101
where: short stacking energy: -66.240
Base-Backbone interact. energy: -0.179
local terms energy: -73.099641
where:
bonds (distance) C4'-P energy: -10.929
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -20.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -236.642010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.642010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.642010 (E_RNA)
where:
Base-Base interactions energy: -161.118
where: short stacking energy: -69.926
Base-Backbone interact. energy: -0.516
local terms energy: -75.008155
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -16.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -185.633010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.633010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.633010 (E_RNA)
where:
Base-Base interactions energy: -107.032
where: short stacking energy: -50.776
Base-Backbone interact. energy: 0.070
local terms energy: -78.670866
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -18.403
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -16.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -209.721818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.721818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.721818 (E_RNA)
where:
Base-Base interactions energy: -137.204
where: short stacking energy: -75.785
Base-Backbone interact. energy: -0.478
local terms energy: -72.040484
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -20.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -92.698985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.698985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.698985 (E_RNA)
where:
Base-Base interactions energy: -48.700
where: short stacking energy: -36.353
Base-Backbone interact. energy: -0.305
local terms energy: -43.694396
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -0.294
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: 8, replica: 6
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -95.206499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.206499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.206499 (E_RNA)
where:
Base-Base interactions energy: -37.911
where: short stacking energy: -36.988
Base-Backbone interact. energy: -0.436
local terms energy: -56.860119
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -11.404
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -4.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -90.508386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.508386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.508386 (E_RNA)
where:
Base-Base interactions energy: -32.292
where: short stacking energy: -30.038
Base-Backbone interact. energy: -0.805
local terms energy: -57.410949
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -3.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -86.591641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.591641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.591641 (E_RNA)
where:
Base-Base interactions energy: -28.315
where: short stacking energy: -28.315
Base-Backbone interact. energy: 0.437
local terms energy: -58.713077
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -2.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -245.860774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.860774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.860774 (E_RNA)
where:
Base-Base interactions energy: -161.990
where: short stacking energy: -79.246
Base-Backbone interact. energy: -0.055
local terms energy: -83.815480
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -23.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -231.063561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.063561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.063561 (E_RNA)
where:
Base-Base interactions energy: -155.048
where: short stacking energy: -56.091
Base-Backbone interact. energy: -0.625
local terms energy: -75.389958
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -18.177
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -14.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -233.281464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.281464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.281464 (E_RNA)
where:
Base-Base interactions energy: -154.704
where: short stacking energy: -66.917
Base-Backbone interact. energy: -0.591
local terms energy: -77.986633
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -17.791
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: 4, replica: 8
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -206.396170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.396170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.396170 (E_RNA)
where:
Base-Base interactions energy: -129.618
where: short stacking energy: -67.661
Base-Backbone interact. energy: -0.456
local terms energy: -76.321941
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -15.145
tors. eta vs tors. theta energy: -18.918
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: 2
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -206.321704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.321704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.321704 (E_RNA)
where:
Base-Base interactions energy: -127.025
where: short stacking energy: -71.263
Base-Backbone interact. energy: -0.001
local terms energy: -79.295187
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -10.975
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -14.675
tors. eta vs tors. theta energy: -21.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -174.509102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.509102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.509102 (E_RNA)
where:
Base-Base interactions energy: -101.255
where: short stacking energy: -51.497
Base-Backbone interact. energy: -0.372
local terms energy: -72.882425
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -16.083
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: 6
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -91.793417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.793417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.793417 (E_RNA)
where:
Base-Base interactions energy: -34.911
where: short stacking energy: -32.693
Base-Backbone interact. energy: -0.107
local terms energy: -56.775445
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -9.837
flat angles P-C4'-P energy: -5.480
tors. eta vs tors. theta energy: -9.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -101.260170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.260170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.260170 (E_RNA)
where:
Base-Base interactions energy: -48.865
where: short stacking energy: -32.896
Base-Backbone interact. energy: -0.304
local terms energy: -52.091188
where:
bonds (distance) C4'-P energy: -9.725
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -10.187
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -4.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -88.873650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.873650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.873650 (E_RNA)
where:
Base-Base interactions energy: -31.401
where: short stacking energy: -28.917
Base-Backbone interact. energy: -1.012
local terms energy: -56.460839
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -12.503
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -12.194
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: 1
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -103.484909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.484909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.484909 (E_RNA)
where:
Base-Base interactions energy: -47.069
where: short stacking energy: -41.361
Base-Backbone interact. energy: 0.635
local terms energy: -57.050881
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -6.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -246.010992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.010992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.010992 (E_RNA)
where:
Base-Base interactions energy: -165.982
where: short stacking energy: -76.903
Base-Backbone interact. energy: -0.585
local terms energy: -79.443982
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -20.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -243.113914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.113914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.113914 (E_RNA)
where:
Base-Base interactions energy: -159.800
where: short stacking energy: -74.433
Base-Backbone interact. energy: -1.154
local terms energy: -82.159884
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -17.357
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -21.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -236.269588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.269588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.269588 (E_RNA)
where:
Base-Base interactions energy: -163.534
where: short stacking energy: -70.827
Base-Backbone interact. energy: 0.393
local terms energy: -73.129415
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -9.684
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: 4, replica: 8
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -205.683552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.683552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.683552 (E_RNA)
where:
Base-Base interactions energy: -129.958
where: short stacking energy: -66.979
Base-Backbone interact. energy: -0.584
local terms energy: -75.140677
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -18.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -188.416539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.416539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.416539 (E_RNA)
where:
Base-Base interactions energy: -120.992
where: short stacking energy: -54.660
Base-Backbone interact. energy: -0.706
local terms energy: -66.718007
where:
bonds (distance) C4'-P energy: -10.333
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -17.614
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: 5
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -167.572270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.572270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.572270 (E_RNA)
where:
Base-Base interactions energy: -105.814
where: short stacking energy: -44.290
Base-Backbone interact. energy: -0.480
local terms energy: -61.278044
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -9.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -85.388822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.388822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.388822 (E_RNA)
where:
Base-Base interactions energy: -37.067
where: short stacking energy: -37.067
Base-Backbone interact. energy: -0.138
local terms energy: -48.183745
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -11.156
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -7.223
tors. eta vs tors. theta energy: -0.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -89.663796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.663796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.663796 (E_RNA)
where:
Base-Base interactions energy: -31.979
where: short stacking energy: -27.700
Base-Backbone interact. energy: 0.133
local terms energy: -57.818152
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -9.316
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: 7
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -87.693166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.693166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.693166 (E_RNA)
where:
Base-Base interactions energy: -32.839
where: short stacking energy: -28.760
Base-Backbone interact. energy: 0.361
local terms energy: -55.214351
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -8.888
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -3.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -83.720700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.720700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.720700 (E_RNA)
where:
Base-Base interactions energy: -27.633
where: short stacking energy: -23.248
Base-Backbone interact. energy: -0.954
local terms energy: -55.134362
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: 0.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -243.954322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.954322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.954322 (E_RNA)
where:
Base-Base interactions energy: -164.573
where: short stacking energy: -77.940
Base-Backbone interact. energy: -0.322
local terms energy: -79.059412
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -16.634
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -12.875
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: 2, replica: 10
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -246.001709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.001709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.001709 (E_RNA)
where:
Base-Base interactions energy: -168.727
where: short stacking energy: -71.826
Base-Backbone interact. energy: -1.085
local terms energy: -76.189625
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -16.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -228.118486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.118486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.118486 (E_RNA)
where:
Base-Base interactions energy: -158.594
where: short stacking energy: -64.710
Base-Backbone interact. energy: -0.202
local terms energy: -69.322355
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -11.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -176.332375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.332375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.332375 (E_RNA)
where:
Base-Base interactions energy: -106.932
where: short stacking energy: -48.448
Base-Backbone interact. energy: -0.179
local terms energy: -69.221247
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -11.362
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: 5, replica: 2
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -193.089149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.089149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.089149 (E_RNA)
where:
Base-Base interactions energy: -122.004
where: short stacking energy: -55.626
Base-Backbone interact. energy: -0.690
local terms energy: -70.395149
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -15.947
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -11.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -165.922408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.922408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.922408 (E_RNA)
where:
Base-Base interactions energy: -106.461
where: short stacking energy: -61.336
Base-Backbone interact. energy: -0.535
local terms energy: -58.926308
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -9.752
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -11.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -106.060096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.060096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.060096 (E_RNA)
where:
Base-Base interactions energy: -51.888
where: short stacking energy: -41.608
Base-Backbone interact. energy: -0.035
local terms energy: -54.137708
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -4.283
tors. eta vs tors. theta energy: -7.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -92.733521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.733521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.733521 (E_RNA)
where:
Base-Base interactions energy: -37.086
where: short stacking energy: -33.054
Base-Backbone interact. energy: -0.081
local terms energy: -55.566613
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -9.534
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: 9, replica: 1
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -84.131651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.131651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.131651 (E_RNA)
where:
Base-Base interactions energy: -35.484
where: short stacking energy: -27.586
Base-Backbone interact. energy: -1.132
local terms energy: -47.515651
where:
bonds (distance) C4'-P energy: -19.627
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -7.183
flat angles P-C4'-P energy: -4.696
tors. eta vs tors. theta energy: -1.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -88.843501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.843501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.843501 (E_RNA)
where:
Base-Base interactions energy: -30.156
where: short stacking energy: -30.156
Base-Backbone interact. energy: 0.009
local terms energy: -58.696942
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -6.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -248.665520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.665520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.665520 (E_RNA)
where:
Base-Base interactions energy: -168.319
where: short stacking energy: -73.967
Base-Backbone interact. energy: -0.282
local terms energy: -80.064659
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -14.834
tors. eta vs tors. theta energy: -20.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -229.298902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.298902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.298902 (E_RNA)
where:
Base-Base interactions energy: -150.178
where: short stacking energy: -68.853
Base-Backbone interact. energy: -0.748
local terms energy: -78.372884
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -18.247
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -18.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -231.908907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.908907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.908907 (E_RNA)
where:
Base-Base interactions energy: -164.536
where: short stacking energy: -69.619
Base-Backbone interact. energy: -0.211
local terms energy: -67.161520
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -13.084
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -15.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -202.487443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.487443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.487443 (E_RNA)
where:
Base-Base interactions energy: -124.561
where: short stacking energy: -64.990
Base-Backbone interact. energy: -0.241
local terms energy: -77.685203
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -17.035
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -12.733
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: 5, replica: 8
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -162.546036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.546036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.546036 (E_RNA)
where:
Base-Base interactions energy: -100.463
where: short stacking energy: -49.780
Base-Backbone interact. energy: -0.024
local terms energy: -62.059201
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -10.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -146.912764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.912764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.912764 (E_RNA)
where:
Base-Base interactions energy: -89.618
where: short stacking energy: -39.895
Base-Backbone interact. energy: -0.529
local terms energy: -56.765684
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -8.442
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: -4.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -89.425731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.425731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.425731 (E_RNA)
where:
Base-Base interactions energy: -30.484
where: short stacking energy: -30.484
Base-Backbone interact. energy: -0.603
local terms energy: -58.338296
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -14.509
flat angles C4'-P-C4' energy: -9.097
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -9.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -94.117276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.117276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.117276 (E_RNA)
where:
Base-Base interactions energy: -41.407
where: short stacking energy: -28.400
Base-Backbone interact. energy: 1.889
local terms energy: -54.598603
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -11.176
flat angles P-C4'-P energy: -10.511
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: 9, replica: 9
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -91.461209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.461209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.461209 (E_RNA)
where:
Base-Base interactions energy: -35.808
where: short stacking energy: -36.595
Base-Backbone interact. energy: -0.087
local terms energy: -55.565733
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -12.227
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -7.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -86.656810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.656810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.656810 (E_RNA)
where:
Base-Base interactions energy: -26.652
where: short stacking energy: -26.652
Base-Backbone interact. energy: -0.205
local terms energy: -59.799865
where:
bonds (distance) C4'-P energy: -16.945
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -0.347
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)
replica 4 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 17356892
moves confirmed later: 20018607
all moves confirmed: 37375499
percent of confirmed moves: 4.671937
current total energy: -220.413841
recalc. total energy: -220.413841
replica 3 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 15945943
moves confirmed later: 18429771
all moves confirmed: 34375714
percent of confirmed moves: 4.296964
current total energy: -188.786581
recalc. total energy: -188.786581
replica 2 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 17817052
moves confirmed later: 20703288
all moves confirmed: 38520340
percent of confirmed moves: 4.815042
current total energy: -181.366419
recalc. total energy: -181.366419
replica 10 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 21704038
moves confirmed later: 25893256
all moves confirmed: 47597294
percent of confirmed moves: 5.949662
current total energy: -206.245828
recalc. total energy: -206.245828
replica 8 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 23369444
moves confirmed later: 28082729
all moves confirmed: 51452173
percent of confirmed moves: 6.431522
current total energy: -149.051828
recalc. total energy: -149.051828
replica 5 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 12157666
moves confirmed later: 13485427
all moves confirmed: 25643093
percent of confirmed moves: 3.205387
current total energy: -117.853991
recalc. total energy: -117.853991
replica 1 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 18698029
moves confirmed later: 21783725
all moves confirmed: 40481754
percent of confirmed moves: 5.060219
current total energy: -60.035248
recalc. total energy: -60.035248
replica 6 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 24605756
moves confirmed later: 29634874
all moves confirmed: 54240630
percent of confirmed moves: 6.780079
current total energy: -59.903309
recalc. total energy: -59.903309
replica 7 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 23562431
moves confirmed later: 28294555
all moves confirmed: 51856986
percent of confirmed moves: 6.482123
current total energy: -44.699979
recalc. total energy: -44.699979
replica 9 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 27257380
moves confirmed later: 33171363
all moves confirmed: 60428743
percent of confirmed moves: 7.553593
current total energy: -41.010887
recalc. total energy: -41.010887
out arg RESULTS//1/JEV4-5cb7561d_01
Time of doing 8000000 iterations: 4119.673 seconds